2-[(3-chlorophenyl)carbamoyl]-3-[dimethyl(sulfonato)azaniumyl]thiophene

Systemtic Name: 2-[(3-chlorophenyl)carbamoyl]-3-[dimethyl(sulfonato)azaniumyl]thiophene Openeye Name: 2-[(3-chlorophenyl)carbamoyl]-3-[dimethyl(sulfonato)ammonio]thiophene CAS Name: 2-[(3-chloroanilino)-oxomethyl]-3-[dimethyl(sulfonato)ammonio]thiophene IUPAC Name: 2-[(3-chlorophenyl)carbamoyl]-3-[dimethyl(sulfonato)azaniumyl]thiophene Traditional Name: 2-[(3-chlorophenyl)carbamoyl]-3-[dimethyl(sulfonato)ammonio]thiophene Formula: C13H13ClN2O4S2 MolecularWeight: 360.83632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C1=C(SC=C1)C(=O)NC2=CC(=CC=C2)Cl)S(=O)(=O)[O-]

Isomeric SMILES

C[N+](C)(C1=C(SC=C1)C(=O)NC2=CC(=CC=C2)Cl)S(=O)(=O)[O-]

InChI

InChI=1S/C13H13ClN2O4S2/c1-16(2,22(18,19)20)11-6-7-21-12(11)13(17)15-10-5-3-4-9(14)8-10/h3-8H,1-2H3,(H-,15,17,18,19,20)