[4-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[(4,5-dimethylthiazol-2-yl)carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[[(4,5-dimethyl-2-thiazolyl)amino]-oxomethyl]phenyl] ester IUPAC Name: [4-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[(4,5-dimethylthiazol-2-yl)carbamoyl]phenyl] ester Formula: C18H15N3O6S2 MolecularWeight: 433.4582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O6S2/c1-11-12(2)28-18(19-11)20-17(22)13-6-8-15(9-7-13)27-29(25,26)16-5-3-4-14(10-16)21(23)24/h3-10H,1-2H3,(H,19,20,22)