3-methylbutyl 2-[[2-(3-chlorophenyl)carbonylcyclohexyl]-(4-methylphenyl)sulfonyl-amino]ethanoate

Systemtic Name: 3-methylbutyl 2-[[2-(3-chlorophenyl)carbonylcyclohexyl]-(4-methylphenyl)sulfonyl-amino]ethanoate Openeye Name: isopentyl 2-[[2-(3-chlorobenzoyl)cyclohexyl]-(p-tolylsulfonyl)amino]acetate CAS Name: 2-[[2-[(3-chlorophenyl)-oxomethyl]cyclohexyl]-(4-methylphenyl)sulfonylamino]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[[2-(3-chlorobenzoyl)cyclohexyl]-(4-methylphenyl)sulfonylamino]acetate Traditional Name: 2-[[2-(3-chlorobenzoyl)cyclohexyl]-tosyl-amino]acetic acid isoamyl ester Formula: C27H34ClNO5S MolecularWeight: 520.08056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)OCCC(C)C)C2CCCCC2C(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)OCCC(C)C)C2CCCCC2C(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C27H34ClNO5S/c1-19(2)15-16-34-26(30)18-29(35(32,33)23-13-11-20(3)12-14-23)25-10-5-4-9-24(25)27(31)21-7-6-8-22(28)17-21/h6-8,11-14,17,19,24-25H,4-5,9-10,15-16,18H2,1-3H3