N-methoxy-N-methyl-3-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-methoxy-N-methyl-3-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: N-methoxy-N-methyl-3-[4-(2-thienylmethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide CAS Name: N-methoxy-N-methyl-3-[oxo-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]methyl]benzenesulfonamide IUPAC Name: N-methoxy-N-methyl-3-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide Traditional Name: N-methoxy-N-methyl-3-[4-(2-thenyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide Formula: C18H24N3O4S2+ MolecularWeight: 410.53086

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Descriptors Computed from Structure

Canonical SMILES:

CN(OC)S(=O)(=O)C1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CS3

Isomeric SMILES

CN(OC)S(=O)(=O)C1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CS3

InChI

InChI=1S/C18H23N3O4S2/c1-19(25-2)27(23,24)17-7-3-5-15(13-17)18(22)21-10-8-20(9-11-21)14-16-6-4-12-26-16/h3-7,12-13H,8-11,14H2,1-2H3/p+1