N-phenyl-3-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: N-phenyl-3-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide Openeye Name: N-phenyl-3-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propanamide CAS Name: N-phenyl-3-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)propanamide IUPAC Name: N-phenyl-3-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide Traditional Name: N-phenyl-3-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propionamide Formula: C17H22N3O3S2+ MolecularWeight: 380.50488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)NC2=CC=CC=C2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)NC2=CC=CC=C2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C17H21N3O3S2/c21-16(18-15-5-2-1-3-6-15)8-9-19-10-12-20(13-11-19)25(22,23)17-7-4-14-24-17/h1-7,14H,8-13H2,(H,18,21)/p+1