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

Systemtic Name: [4-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl] 2-methyl-5-nitro-benzenesulfonate Openeye Name: [4-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl] 2-methyl-5-nitro-benzenesulfonate CAS Name: 2-methyl-5-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] 2-methyl-5-nitrobenzenesulfonate Traditional Name: 2-methyl-5-nitro-benzenesulfonic acid [4-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl] ester Formula: C18H16N4O6S2 MolecularWeight: 448.47284

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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=C(C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4O6S2/c1-3-16-20-21-18(29-16)19-17(23)12-5-8-14(9-6-12)28-30(26,27)15-10-13(22(24)25)7-4-11(15)2/h4-10H,3H2,1-2H3,(H,19,21,23)