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

Systemtic Name: 8-[(4-chlorophenyl)sulfonylamino]-4-(3-pyridin-3-ylpropyl)octanoate Openeye Name: 8-[(4-chlorophenyl)sulfonylamino]-4-[3-(3-pyridyl)propyl]octanoate CAS Name: 8-[(4-chlorophenyl)sulfonylamino]-4-[3-(3-pyridinyl)propyl]octanoate IUPAC Name: 8-[(4-chlorophenyl)sulfonylamino]-4-(3-pyridin-3-ylpropyl)octanoate Traditional Name: 8-[(4-chlorophenyl)sulfonylamino]-4-[3-(3-pyridyl)propyl]caprylate Formula: C22H28ClN2O4S- MolecularWeight: 451.98672

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CCCC(CCCCNS(=O)(=O)C2=CC=C(C=C2)Cl)CCC(=O)[O-]

Isomeric SMILES

C1=CC(=CN=C1)CCCC(CCCCNS(=O)(=O)C2=CC=C(C=C2)Cl)CCC(=O)[O-]

InChI

InChI=1S/C22H29ClN2O4S/c23-20-10-12-21(13-11-20)30(28,29)25-16-2-1-5-18(9-14-22(26)27)6-3-7-19-8-4-15-24-17-19/h4,8,10-13,15,17-18,25H,1-3,5-7,9,14,16H2,(H,26,27)/p-1