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

Systemtic Name: [2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methyl 3-(phenylsulfonylamino)propanoate Openeye Name: [2-(4-methylanilino)thiazol-4-yl]methyl 3-(benzenesulfonamido)propanoate CAS Name: 3-(benzenesulfonamido)propanoic acid [2-(4-methylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 3-(benzenesulfonamido)propanoate Traditional Name: 3-(benzenesulfonamido)propionic acid [2-(p-toluidino)thiazol-4-yl]methyl ester Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4S2/c1-15-7-9-16(10-8-15)22-20-23-17(14-28-20)13-27-19(24)11-12-21-29(25,26)18-5-3-2-4-6-18/h2-10,14,21H,11-13H2,1H3,(H,22,23)