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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35ClN2O4S/c1-25(2,24(29)32-3)18-20(9-6-10-21-11-7-16-27-19-21)8-4-5-17-28-33(30,31)23-14-12-22(26)13-15-23/h7,11-16,19-20,28H,4-6,8-10,17-18H2,1-3H3