[1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methyl-2-(phenylsulfonylamino)butanoate

Systemtic Name: [1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methyl-2-(phenylsulfonylamino)butanoate Openeye Name: [2-(4-cyanoanilino)-1-methyl-2-oxo-ethyl] 2-(benzenesulfonamido)-3-methyl-butanoate CAS Name: 2-(benzenesulfonamido)-3-methylbutanoic acid [1-(4-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-cyanoanilino)-1-oxopropan-2-yl] 2-(benzenesulfonamido)-3-methylbutanoate Traditional Name: 2-(benzenesulfonamido)-3-methyl-butyric acid [2-(4-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C)C(=O)NC1=CC=C(C=C1)C#N)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)C(C(=O)OC(C)C(=O)NC1=CC=C(C=C1)C#N)NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H23N3O5S/c1-14(2)19(24-30(27,28)18-7-5-4-6-8-18)21(26)29-15(3)20(25)23-17-11-9-16(13-22)10-12-17/h4-12,14-15,19,24H,1-3H3,(H,23,25)