methyl 3-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)carbamoylsulfamoylmethyl]benzoate

Systemtic Name: methyl 3-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)carbamoylsulfamoylmethyl]benzoate Openeye Name: methyl 3-[(2-methyl-4-phenyl-thiazol-5-yl)carbamoylsulfamoylmethyl]benzoate CAS Name: 3-[[[(2-methyl-4-phenyl-5-thiazolyl)amino]-oxomethyl]sulfamoylmethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)carbamoylsulfamoylmethyl]benzoate Traditional Name: 3-[(2-methyl-4-phenyl-thiazol-5-yl)carbamoylsulfamoylmethyl]benzoic acid methyl ester Formula: C20H19N3O5S2 MolecularWeight: 445.51196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(S1)NC(=O)NS(=O)(=O)CC2=CC=CC(=C2)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=NC(=C(S1)NC(=O)NS(=O)(=O)CC2=CC=CC(=C2)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C20H19N3O5S2/c1-13-21-17(15-8-4-3-5-9-15)18(29-13)22-20(25)23-30(26,27)12-14-7-6-10-16(11-14)19(24)28-2/h3-11H,12H2,1-2H3,(H2,22,23,25)