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

Systemtic Name: 2,2-dimethylpropyl 8-[(4-chlorophenyl)sulfonylamino]-4-(3-pyridin-3-ylpropyl)octanoate Openeye Name: 2,2-dimethylpropyl 8-[(4-chlorophenyl)sulfonylamino]-4-[3-(3-pyridyl)propyl]octanoate CAS Name: 8-[(4-chlorophenyl)sulfonylamino]-4-[3-(3-pyridinyl)propyl]octanoic acid 2,2-dimethylpropyl ester IUPAC Name: 2,2-dimethylpropyl 8-[(4-chlorophenyl)sulfonylamino]-4-(3-pyridin-3-ylpropyl)octanoate Traditional Name: 8-[(4-chlorophenyl)sulfonylamino]-4-[3-(3-pyridyl)propyl]caprylic acid neopentyl ester Formula: C27H39ClN2O4S MolecularWeight: 523.12756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H39ClN2O4S/c1-27(2,3)21-34-26(31)17-12-22(9-6-10-23-11-7-18-29-20-23)8-4-5-19-30-35(32,33)25-15-13-24(28)14-16-25/h7,11,13-16,18,20,22,30H,4-6,8-10,12,17,19,21H2,1-3H3