sodium 8-[(4-chlorophenyl)sulfonylamino]-2-methyl-4-(3-pyridin-3-ylpropyl)octanoate

Systemtic Name: sodium 8-[(4-chlorophenyl)sulfonylamino]-2-methyl-4-(3-pyridin-3-ylpropyl)octanoate Openeye Name: sodium 8-[(4-chlorophenyl)sulfonylamino]-2-methyl-4-[3-(3-pyridyl)propyl]octanoate CAS Name: sodium 8-[(4-chlorophenyl)sulfonylamino]-2-methyl-4-[3-(3-pyridinyl)propyl]octanoate IUPAC Name: sodium 8-[(4-chlorophenyl)sulfonylamino]-2-methyl-4-(3-pyridin-3-ylpropyl)octanoate Traditional Name: sodium 8-[(4-chlorophenyl)sulfonylamino]-2-methyl-4-[3-(3-pyridyl)propyl]caprylate Formula: C23H30ClN2NaO4S MolecularWeight: 489.00307

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(CCCCNS(=O)(=O)C1=CC=C(C=C1)Cl)CCCC2=CN=CC=C2)C(=O)[O-].[Na+]

Isomeric SMILES

CC(CC(CCCCNS(=O)(=O)C1=CC=C(C=C1)Cl)CCCC2=CN=CC=C2)C(=O)[O-].[Na+]

InChI

InChI=1S/C23H31ClN2O4S.Na/c1-18(23(27)28)16-19(7-4-8-20-9-5-14-25-17-20)6-2-3-15-26-31(29,30)22-12-10-21(24)11-13-22;/h5,9-14,17-19,26H,2-4,6-8,15-16H2,1H3,(H,27,28);/q;+1/p-1