[2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-chlorophenyl)carbonylbenzoate

Systemtic Name: [2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-chlorophenyl)carbonylbenzoate Openeye Name: [2-[4-methyl-3-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl] 2-(4-chlorobenzoyl)benzoate CAS Name: 2-[(4-chlorophenyl)-oxomethyl]benzoic acid [2-[4-methyl-3-(1-piperidinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate Traditional Name: 2-(4-chlorobenzoyl)benzoic acid [2-keto-2-(4-methyl-3-piperidinosulfonyl-anilino)ethyl] ester Formula: C28H27ClN2O6S MolecularWeight: 555.04178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC=CC=C2C(=O)C3=CC=C(C=C3)Cl)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC=CC=C2C(=O)C3=CC=C(C=C3)Cl)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C28H27ClN2O6S/c1-19-9-14-22(17-25(19)38(35,36)31-15-5-2-6-16-31)30-26(32)18-37-28(34)24-8-4-3-7-23(24)27(33)20-10-12-21(29)13-11-20/h3-4,7-14,17H,2,5-6,15-16,18H2,1H3,(H,30,32)