sodium 8-[(4-chlorophenyl)sulfonylamino]-6-(pyridin-3-ylmethyl)octanoate

Systemtic Name: sodium 8-[(4-chlorophenyl)sulfonylamino]-6-(pyridin-3-ylmethyl)octanoate Openeye Name: sodium 8-[(4-chlorophenyl)sulfonylamino]-6-(3-pyridylmethyl)octanoate CAS Name: sodium 8-[(4-chlorophenyl)sulfonylamino]-6-(3-pyridinylmethyl)octanoate IUPAC Name: sodium 8-[(4-chlorophenyl)sulfonylamino]-6-(pyridin-3-ylmethyl)octanoate Traditional Name: sodium 8-[(4-chlorophenyl)sulfonylamino]-6-(3-pyridylmethyl)caprylate Formula: C20H24ClN2NaO4S MolecularWeight: 446.92333

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CC(CCCCC(=O)[O-])CCNS(=O)(=O)C2=CC=C(C=C2)Cl.[Na+]

Isomeric SMILES

C1=CC(=CN=C1)CC(CCCCC(=O)[O-])CCNS(=O)(=O)C2=CC=C(C=C2)Cl.[Na+]

InChI

InChI=1S/C20H25ClN2O4S.Na/c21-18-7-9-19(10-8-18)28(26,27)23-13-11-16(4-1-2-6-20(24)25)14-17-5-3-12-22-15-17;/h3,5,7-10,12,15-16,23H,1-2,4,6,11,13-14H2,(H,24,25);/q;+1/p-1