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

Systemtic Name: N-(4-ethanoylphenyl)-3-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide Openeye Name: N-(4-acetylphenyl)-3-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propanamide CAS Name: N-(4-acetylphenyl)-3-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)propanamide IUPAC Name: N-(4-acetylphenyl)-3-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide Traditional Name: N-(4-acetylphenyl)-3-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propionamide Formula: C19H24N3O4S2+ MolecularWeight: 422.54156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)CC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)CC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C19H23N3O4S2/c1-15(23)16-4-6-17(7-5-16)20-18(24)8-9-21-10-12-22(13-11-21)28(25,26)19-3-2-14-27-19/h2-7,14H,8-13H2,1H3,(H,20,24)/p+1