[4-[[(5-ethyl-4-methyl-thiophen-2-yl)carbonylamino]carbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[[(5-ethyl-4-methyl-thiophen-2-yl)carbonylamino]carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[[(5-ethyl-4-methyl-thiophene-2-carbonyl)amino]carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[[[(5-ethyl-4-methyl-2-thiophenyl)-oxomethyl]hydrazo]-oxomethyl]phenyl] ester IUPAC Name: [4-[[(5-ethyl-4-methylthiophene-2-carbonyl)amino]carbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[[(5-ethyl-4-methyl-thiophene-2-carbonyl)amino]carbamoyl]phenyl] ester Formula: C21H19N3O7S2 MolecularWeight: 489.52146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O7S2/c1-3-18-13(2)11-19(32-18)21(26)23-22-20(25)14-7-9-16(10-8-14)31-33(29,30)17-6-4-5-15(12-17)24(27)28/h4-12H,3H2,1-2H3,(H,22,25)(H,23,26)