[2-[(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(4-methylphenyl)benzoate

Systemtic Name: [2-[(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(4-methylphenyl)benzoate Openeye Name: [2-(2-methyl-5-morpholinosulfonyl-anilino)-2-oxo-ethyl] 4-(p-tolyl)benzoate CAS Name: 4-(4-methylphenyl)benzoic acid [2-[2-methyl-5-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-(4-methylphenyl)benzoate Traditional Name: 4-(p-tolyl)benzoic acid [2-keto-2-(2-methyl-5-morpholinosulfonyl-anilino)ethyl] ester Formula: C27H28N2O6S MolecularWeight: 508.58602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OCC(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OCC(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)C

InChI

InChI=1S/C27H28N2O6S/c1-19-3-6-21(7-4-19)22-8-10-23(11-9-22)27(31)35-18-26(30)28-25-17-24(12-5-20(25)2)36(32,33)29-13-15-34-16-14-29/h3-12,17H,13-16,18H2,1-2H3,(H,28,30)