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

Systemtic Name: [4-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-oxomethyl]phenyl] ester IUPAC Name: [4-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl] ester Formula: C17H14N4O6S2 MolecularWeight: 434.44626

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H14N4O6S2/c1-2-15-19-20-17(28-15)18-16(22)11-6-8-13(9-7-11)27-29(25,26)14-5-3-4-12(10-14)21(23)24/h3-10H,2H2,1H3,(H,18,20,22)