8-[(4-methoxyphenyl)sulfonylamino]-7-pyridin-3-yl-octanoic acid hydrochloride

Systemtic Name: 8-[(4-methoxyphenyl)sulfonylamino]-7-pyridin-3-yl-octanoic acid hydrochloride Openeye Name: 8-[(4-methoxyphenyl)sulfonylamino]-7-(3-pyridyl)octanoic acid hydrochloride CAS Name: 8-[(4-methoxyphenyl)sulfonylamino]-7-(3-pyridinyl)octanoic acid hydrochloride IUPAC Name: 8-[(4-methoxyphenyl)sulfonylamino]-7-pyridin-3-yloctanoic acid hydrochloride Traditional Name: 8-[(4-methoxyphenyl)sulfonylamino]-7-(3-pyridyl)caprylic acid hydrochloride Formula: C20H27ClN2O5S MolecularWeight: 442.95678

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NCC(CCCCCC(=O)O)C2=CN=CC=C2.Cl

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NCC(CCCCCC(=O)O)C2=CN=CC=C2.Cl

InChI

InChI=1S/C20H26N2O5S.ClH/c1-27-18-9-11-19(12-10-18)28(25,26)22-15-17(16-7-5-13-21-14-16)6-3-2-4-8-20(23)24;/h5,7,9-14,17,22H,2-4,6,8,15H2,1H3,(H,23,24);1H