propan-2-yl 8-[(4-chlorophenyl)sulfonylamino]-4-(3-pyridin-3-ylpropyl)octanoate

Systemtic Name: propan-2-yl 8-[(4-chlorophenyl)sulfonylamino]-4-(3-pyridin-3-ylpropyl)octanoate Openeye Name: isopropyl 8-[(4-chlorophenyl)sulfonylamino]-4-[3-(3-pyridyl)propyl]octanoate CAS Name: 8-[(4-chlorophenyl)sulfonylamino]-4-[3-(3-pyridinyl)propyl]octanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 8-[(4-chlorophenyl)sulfonylamino]-4-(3-pyridin-3-ylpropyl)octanoate Traditional Name: 8-[(4-chlorophenyl)sulfonylamino]-4-[3-(3-pyridyl)propyl]caprylic acid isopropyl ester Formula: C25H35ClN2O4S MolecularWeight: 495.0744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CCC(CCCCNS(=O)(=O)C1=CC=C(C=C1)Cl)CCCC2=CN=CC=C2

Isomeric SMILES

CC(C)OC(=O)CCC(CCCCNS(=O)(=O)C1=CC=C(C=C1)Cl)CCCC2=CN=CC=C2

InChI

InChI=1S/C25H35ClN2O4S/c1-20(2)32-25(29)16-11-21(8-5-9-22-10-6-17-27-19-22)7-3-4-18-28-33(30,31)24-14-12-23(26)13-15-24/h6,10,12-15,17,19-21,28H,3-5,7-9,11,16,18H2,1-2H3