N-(4-ethoxyphenyl)-4-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethoxy]benzenesulfonamide

Systemtic Name: N-(4-ethoxyphenyl)-4-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethoxy]benzenesulfonamide Openeye Name: 4-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethoxy]-N-(4-ethoxyphenyl)benzenesulfonamide CAS Name: N-(4-ethoxyphenyl)-4-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethoxy]benzenesulfonamide IUPAC Name: 4-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethoxy]-N-(4-ethoxyphenyl)benzenesulfonamide Traditional Name: 4-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethoxy]-N-p-phenetyl-benzenesulfonamide Formula: C27H32N3O5S+ MolecularWeight: 510.62508

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)OCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)OCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H31N3O5S/c1-2-34-24-10-8-23(9-11-24)28-36(32,33)26-14-12-25(13-15-26)35-21-27(31)30-18-16-29(17-19-30)20-22-6-4-3-5-7-22/h3-15,28H,2,16-21H2,1H3/p+1