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

Systemtic Name: N-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-3-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide Openeye Name: N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propanamide CAS Name: N-[4-(2-oxo-1-pyrrolidinyl)phenyl]-3-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)propanamide IUPAC Name: N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide Traditional Name: N-[4-(2-ketopyrrolidino)phenyl]-3-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propionamide Formula: C21H27N4O4S2+ MolecularWeight: 463.59348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O4S2/c26-19(22-17-5-7-18(8-6-17)25-10-1-3-20(25)27)9-11-23-12-14-24(15-13-23)31(28,29)21-4-2-16-30-21/h2,4-8,16H,1,3,9-15H2,(H,22,26)/p+1