[4-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[(4-methylthiazol-2-yl)carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[[(4-methyl-2-thiazolyl)amino]-oxomethyl]phenyl] ester IUPAC Name: [4-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[(4-methylthiazol-2-yl)carbamoyl]phenyl] ester Formula: C17H13N3O6S2 MolecularWeight: 419.43162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O6S2/c1-11-10-27-17(18-11)19-16(21)12-5-7-14(8-6-12)26-28(24,25)15-4-2-3-13(9-15)20(22)23/h2-10H,1H3,(H,18,19,21)