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8-(phenylsulfonylamino)-6-(pyridin-3-ylmethyl)octanoic acid

8-(phenylsulfonylamino)-6-(pyridin-3-ylmethyl)octanoic acid

Systemtic Name:8-(phenylsulfonylamino)-6-(pyridin-3-ylmethyl)octanoic acid
Openeye Name:8-(benzenesulfonamido)-6-(3-pyridylmethyl)octanoic acid
CAS Name:8-(benzenesulfonamido)-6-(3-pyridinylmethyl)octanoic acid
IUPAC Name:8-(benzenesulfonamido)-6-(pyridin-3-ylmethyl)octanoic acid
Traditional Name:8-(benzenesulfonamido)-6-(3-pyridylmethyl)caprylic acid
Formula: C20H26N2O4S
MolecularWeight: 390.49644
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NCCC(CCCCC(=O)O)CC2=CN=CC=C2


Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NCCC(CCCCC(=O)O)CC2=CN=CC=C2


InChI

InChI=1S/C20H26N2O4S/c23-20(24)11-5-4-7-17(15-18-8-6-13-21-16-18)12-14-22-27(25,26)19-9-2-1-3-10-19/h1-3,6,8-10,13,16-17,22H,4-5,7,11-12,14-15H2,(H,23,24)


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