[2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methyl 3-methyl-2-(phenylsulfonylamino)butanoate

Systemtic Name: [2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methyl 3-methyl-2-(phenylsulfonylamino)butanoate Openeye Name: [2-(4-methylanilino)thiazol-4-yl]methyl 2-(benzenesulfonamido)-3-methyl-butanoate CAS Name: 2-(benzenesulfonamido)-3-methylbutanoic acid [2-(4-methylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-(benzenesulfonamido)-3-methylbutanoate Traditional Name: 2-(benzenesulfonamido)-3-methyl-butyric acid [2-(p-toluidino)thiazol-4-yl]methyl ester Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)C(C(C)C)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)C(C(C)C)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H25N3O4S2/c1-15(2)20(25-31(27,28)19-7-5-4-6-8-19)21(26)29-13-18-14-30-22(24-18)23-17-11-9-16(3)10-12-17/h4-12,14-15,20,25H,13H2,1-3H3,(H,23,24)