[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-[(5-tert-butyl-2-methyl-phenyl)sulfonylamino]benzoate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-[(5-tert-butyl-2-methyl-phenyl)sulfonylamino]benzoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 2-[(5-tert-butyl-2-methyl-phenyl)sulfonylamino]benzoate CAS Name: 2-[(5-tert-butyl-2-methylphenyl)sulfonylamino]benzoic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-[(5-tert-butyl-2-methylphenyl)sulfonylamino]benzoate Traditional Name: 2-[(5-tert-butyl-2-methyl-phenyl)sulfonylamino]benzoic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C29H31N3O5S MolecularWeight: 533.63854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)(C)C)S(=O)(=O)NC2=CC=CC=C2C(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)(C)C)S(=O)(=O)NC2=CC=CC=C2C(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3

InChI

InChI=1S/C29H31N3O5S/c1-21-15-16-22(29(2,3)4)19-26(21)38(35,36)31-25-14-9-8-13-24(25)28(34)37-20-27(33)32(18-10-17-30)23-11-6-5-7-12-23/h5-9,11-16,19,31H,10,18,20H2,1-4H3