[4-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-oxomethyl]phenyl] ester IUPAC Name: [4-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl] ester Formula: C16H12N4O6S2 MolecularWeight: 420.41968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H12N4O6S2/c1-10-18-19-16(27-10)17-15(21)11-5-7-13(8-6-11)26-28(24,25)14-4-2-3-12(9-14)20(22)23/h2-9H,1H3,(H,17,19,21)