4-ethoxy-N-[4-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]benzenesulfonamide

Systemtic Name: 4-ethoxy-N-[4-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]benzenesulfonamide Openeye Name: 4-ethoxy-N-[4-[4-(3-thienylmethyl)piperazin-4-ium-1-carbonyl]phenyl]benzenesulfonamide CAS Name: 4-ethoxy-N-[4-[oxo-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methyl]phenyl]benzenesulfonamide IUPAC Name: 4-ethoxy-N-[4-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]benzenesulfonamide Traditional Name: 4-ethoxy-N-[4-[4-(3-thenyl)piperazin-4-ium-1-carbonyl]phenyl]benzenesulfonamide Formula: C24H28N3O4S2+ MolecularWeight: 486.62682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CSC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CSC=C4

InChI

InChI=1S/C24H27N3O4S2/c1-2-31-22-7-9-23(10-8-22)33(29,30)25-21-5-3-20(4-6-21)24(28)27-14-12-26(13-15-27)17-19-11-16-32-18-19/h3-11,16,18,25H,2,12-15,17H2,1H3/p+1