[1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(3,4-dimethylphenyl)sulfonylamino]ethanoate

Systemtic Name: [1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(3,4-dimethylphenyl)sulfonylamino]ethanoate Openeye Name: [2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate CAS Name: 2-[(3,4-dimethylphenyl)sulfonylamino]acetic acid [1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-cyanoanilino)-1-oxopropan-2-yl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate Traditional Name: 2-[(3,4-dimethylphenyl)sulfonylamino]acetic acid [2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OC(C)C(=O)NC2=CC=CC(=C2)C#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OC(C)C(=O)NC2=CC=CC(=C2)C#N)C

InChI

InChI=1S/C20H21N3O5S/c1-13-7-8-18(9-14(13)2)29(26,27)22-12-19(24)28-15(3)20(25)23-17-6-4-5-16(10-17)11-21/h4-10,15,22H,12H2,1-3H3,(H,23,25)