5-chloranyl-N-[2-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]thiophene-2-sulfonamide

Systemtic Name: 5-chloranyl-N-[2-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]thiophene-2-sulfonamide Openeye Name: N-[2-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]-5-chloro-thiophene-2-sulfonamide CAS Name: 5-chloro-N-[2-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]phenyl]-2-thiophenesulfonamide IUPAC Name: N-[2-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]-5-chlorothiophene-2-sulfonamide Traditional Name: N-[2-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]-5-chloro-thiophene-2-sulfonamide Formula: C22H23ClN3O3S2+ MolecularWeight: 477.01932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=C(S4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=C(S4)Cl

InChI

InChI=1S/C22H22ClN3O3S2/c23-20-10-11-21(30-20)31(28,29)24-19-9-5-4-8-18(19)22(27)26-14-12-25(13-15-26)16-17-6-2-1-3-7-17/h1-11,24H,12-16H2/p+1