
 chroman 28

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M  END

>  <Chemical Name>
chroman 28

>  <PubChem CID>
16108961

>  <Formula>
C34H37N3O4S

>  <Molecular Weight>
583.747000

>  <IUPAC Name>
(3R)-3-(naphthalen-2-ylsulfonylamino)-3-phenyl-N-[(4R)-7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]propanamide

>  <XlogP>
5.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CCN(CC1)CC2=CC3=C(C=C2)C(CCO3)NC(=O)CC(C4=CC=CC=C4)NS(=O)(=O)C5=CC6=CC=CC=C6C=C5

>  <Isomeric SMILES>
C1CCN(CC1)CC2=CC3=C(C=C2)[C@@H](CCO3)NC(=O)C[C@H](C4=CC=CC=C4)NS(=O)(=O)C5=CC6=CC=CC=C6C=C5

>  <InChI Std. ID>
InChI=1S/C34H37N3O4S/c38-34(35-31-17-20-41-33-21-25(13-16-30(31)33)24-37-18-7-2-8-19-37)23-32(27-10-3-1-4-11-27)36-42(39,40)29-15-14-26-9-5-6-12-28(26)22-29/h1,3-6,9-16,21-22,31-32,36H,2,7-8,17-20,23-24H2,(H,35,38)/t31-,32-/m1/s1

>  <InChI Key>
IQPWKAIEQBOLPJ-ROJLCIKYSA-N

