N,N-dimethyl-4-pyrrolidin-1-yl-3-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N,N-dimethyl-4-pyrrolidin-1-yl-3-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: N,N-dimethyl-4-pyrrolidin-1-yl-3-[4-(2-thienylmethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide CAS Name: N,N-dimethyl-3-[oxo-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]methyl]-4-(1-pyrrolidinyl)benzenesulfonamide IUPAC Name: N,N-dimethyl-4-pyrrolidin-1-yl-3-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide Traditional Name: N,N-dimethyl-4-pyrrolidino-3-[4-(2-thenyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide Formula: C22H31N4O3S2+ MolecularWeight: 463.63654

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)N3CC[NH+](CC3)CC4=CC=CS4

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)N3CC[NH+](CC3)CC4=CC=CS4

InChI

InChI=1S/C22H30N4O3S2/c1-23(2)31(28,29)19-7-8-21(25-9-3-4-10-25)20(16-19)22(27)26-13-11-24(12-14-26)17-18-6-5-15-30-18/h5-8,15-16H,3-4,9-14,17H2,1-2H3/p+1