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

Systemtic Name: N,N-dimethyl-4-pyrrolidin-1-yl-3-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: N,N-dimethyl-4-pyrrolidin-1-yl-3-[4-(3-thienylmethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide CAS Name: N,N-dimethyl-3-[oxo-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methyl]-4-(1-pyrrolidinyl)benzenesulfonamide IUPAC Name: N,N-dimethyl-4-pyrrolidin-1-yl-3-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide Traditional Name: N,N-dimethyl-4-pyrrolidino-3-[4-(3-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=CSC=C4

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)N3CC[NH+](CC3)CC4=CSC=C4

InChI

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