[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3,5-bis(thiophen-2-ylsulfonylamino)benzoate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3,5-bis(thiophen-2-ylsulfonylamino)benzoate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 3,5-bis(2-thienylsulfonylamino)benzoate CAS Name: 3,5-bis(thiophen-2-ylsulfonylamino)benzoic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 3,5-bis(thiophen-2-ylsulfonylamino)benzoate Traditional Name: 3,5-bis(2-thienylsulfonylamino)benzoic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C24H20N4O9S4 MolecularWeight: 636.697

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC(=CC(=C2)NS(=O)(=O)C3=CC=CS3)NS(=O)(=O)C4=CC=CS4

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC(=CC(=C2)NS(=O)(=O)C3=CC=CS3)NS(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C24H20N4O9S4/c1-15(23(29)25-17-5-2-6-20(14-17)28(31)32)37-24(30)16-11-18(26-40(33,34)21-7-3-9-38-21)13-19(12-16)27-41(35,36)22-8-4-10-39-22/h2-15,26-27H,1H3,(H,25,29)