N-[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[3-(2-oxopyrrolidin-1-yl)phenyl]-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[3-(2-oxo-1-pyrrolidinyl)phenyl]-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[3-(2-oxopyrrolidin-1-yl)phenyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[3-(2-ketopyrrolidino)phenyl]-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide Formula: C20H25N4O4S2+ MolecularWeight: 449.5669

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC(=CC=C2)NC(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CC(=O)N(C1)C2=CC(=CC=C2)NC(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C20H24N4O4S2/c25-18(21-16-4-1-5-17(14-16)24-8-2-6-19(24)26)15-22-9-11-23(12-10-22)30(27,28)20-7-3-13-29-20/h1,3-5,7,13-14H,2,6,8-12,15H2,(H,21,25)/p+1