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

Systemtic Name: N-ethyl-4-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: N-ethyl-4-[4-(3-thienylmethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide CAS Name: N-ethyl-4-[oxo-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methyl]benzenesulfonamide IUPAC Name: N-ethyl-4-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide Traditional Name: N-ethyl-4-[4-(3-thenyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide Formula: C18H24N3O3S2+ MolecularWeight: 394.53146

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Descriptors Computed from Structure

Canonical SMILES:

CCNS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CSC=C3

Isomeric SMILES

CCNS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CSC=C3

InChI

InChI=1S/C18H23N3O3S2/c1-2-19-26(23,24)17-5-3-16(4-6-17)18(22)21-10-8-20(9-11-21)13-15-7-12-25-14-15/h3-7,12,14,19H,2,8-11,13H2,1H3/p+1