[2-[ethanoyl-(3-methylphenyl)amino]-1,3-thiazol-4-yl]methyl 2-methoxy-5-sulfamoyl-benzoate

Systemtic Name: [2-[ethanoyl-(3-methylphenyl)amino]-1,3-thiazol-4-yl]methyl 2-methoxy-5-sulfamoyl-benzoate Openeye Name: [2-(N-acetyl-3-methyl-anilino)thiazol-4-yl]methyl 2-methoxy-5-sulfamoyl-benzoate CAS Name: 2-methoxy-5-sulfamoylbenzoic acid [2-(N-acetyl-3-methylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(N-acetyl-3-methylanilino)-1,3-thiazol-4-yl]methyl 2-methoxy-5-sulfamoylbenzoate Traditional Name: 2-methoxy-5-sulfamoyl-benzoic acid [2-(N-acetyl-3-methyl-anilino)thiazol-4-yl]methyl ester Formula: C21H21N3O6S2 MolecularWeight: 475.53794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(C2=NC(=CS2)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)N)OC)C(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)N(C2=NC(=CS2)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)N)OC)C(=O)C

InChI

InChI=1S/C21H21N3O6S2/c1-13-5-4-6-16(9-13)24(14(2)25)21-23-15(12-31-21)11-30-20(26)18-10-17(32(22,27)28)7-8-19(18)29-3/h4-10,12H,11H2,1-3H3,(H2,22,27,28)