N-(2-methoxyphenyl)-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]thiophene-2-sulfonamide

Systemtic Name: N-(2-methoxyphenyl)-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]thiophene-2-sulfonamide Openeye Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-N-(2-methoxyphenyl)thiophene-2-sulfonamide CAS Name: N-(2-methoxyphenyl)-N-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]-2-thiophenesulfonamide IUPAC Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]-N-(2-methoxyphenyl)thiophene-2-sulfonamide Traditional Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]-N-(2-methoxyphenyl)thiophene-2-sulfonamide Formula: C24H28N3O4S2+ MolecularWeight: 486.62682

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N(CC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

COC1=CC=CC=C1N(CC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C24H27N3O4S2/c1-31-22-11-6-5-10-21(22)27(33(29,30)24-12-7-17-32-24)19-23(28)26-15-13-25(14-16-26)18-20-8-3-2-4-9-20/h2-12,17H,13-16,18-19H2,1H3/p+1