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

Systemtic Name: [4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[[4-(p-tolyl)thiazol-2-yl]carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[[[4-(4-methylphenyl)-2-thiazolyl]amino]-oxomethyl]phenyl] ester IUPAC Name: [4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[[4-(p-tolyl)thiazol-2-yl]carbamoyl]phenyl] ester Formula: C23H17N3O6S2 MolecularWeight: 495.52758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H17N3O6S2/c1-15-5-7-16(8-6-15)21-14-33-23(24-21)25-22(27)17-9-11-19(12-10-17)32-34(30,31)20-4-2-3-18(13-20)26(28)29/h2-14H,1H3,(H,24,25,27)