4-(2-oxidanylidenepyrrolidin-1-yl)-N-[2-oxidanylidene-2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethyl]benzenesulfonamide

Systemtic Name: 4-(2-oxidanylidenepyrrolidin-1-yl)-N-[2-oxidanylidene-2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethyl]benzenesulfonamide Openeye Name: 4-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]ethyl]benzenesulfonamide CAS Name: 4-(2-oxo-1-pyrrolidinyl)-N-[2-oxo-2-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]ethyl]benzenesulfonamide IUPAC Name: 4-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethyl]benzenesulfonamide Traditional Name: 4-(2-ketopyrrolidino)-N-[2-keto-2-[4-(3-thenyl)piperazin-4-ium-1-yl]ethyl]benzenesulfonamide Formula: C21H27N4O4S2+ MolecularWeight: 463.59348

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)S(=O)(=O)NCC(=O)N3CC[NH+](CC3)CC4=CSC=C4

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)S(=O)(=O)NCC(=O)N3CC[NH+](CC3)CC4=CSC=C4

InChI

InChI=1S/C21H26N4O4S2/c26-20-2-1-8-25(20)18-3-5-19(6-4-18)31(28,29)22-14-21(27)24-11-9-23(10-12-24)15-17-7-13-30-16-17/h3-7,13,16,22H,1-2,8-12,14-15H2/p+1