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

Systemtic Name: [4-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-oxomethyl]phenyl] ester IUPAC Name: [4-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl] ester Formula: C18H14N4O6S2 MolecularWeight: 446.45696

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(S2)NC(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC1C2=NN=C(S2)NC(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H14N4O6S2/c23-16(19-18-21-20-17(29-18)12-4-5-12)11-6-8-14(9-7-11)28-30(26,27)15-3-1-2-13(10-15)22(24)25/h1-3,6-10,12H,4-5H2,(H,19,21,23)