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

Systemtic Name: [4-[(4-methyl-1,3-thiazol-2-yl)-phenyl-carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[(4-methylthiazol-2-yl)-phenyl-carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[(N-(4-methyl-2-thiazolyl)anilino)-oxomethyl]phenyl] ester IUPAC Name: [4-[(4-methyl-1,3-thiazol-2-yl)-phenylcarbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[(4-methylthiazol-2-yl)-phenyl-carbamoyl]phenyl] ester Formula: C23H17N3O6S2 MolecularWeight: 495.52758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)N(C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)N(C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

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