N-ethyl-N-phenyl-4-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-ethyl-N-phenyl-4-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: N-ethyl-N-phenyl-4-[4-(3-thienylmethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide CAS Name: N-ethyl-4-[oxo-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methyl]-N-phenylbenzenesulfonamide IUPAC Name: N-ethyl-N-phenyl-4-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide Traditional Name: N-ethyl-N-phenyl-4-[4-(3-thenyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide Formula: C24H28N3O3S2+ MolecularWeight: 470.62742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O3S2/c1-2-27(22-6-4-3-5-7-22)32(29,30)23-10-8-21(9-11-23)24(28)26-15-13-25(14-16-26)18-20-12-17-31-19-20/h3-12,17,19H,2,13-16,18H2,1H3/p+1