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

Systemtic Name: 3-chloranyl-N-(2-methoxyethyl)-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]-3-chloro-N-(2-methoxyethyl)benzenesulfonamide CAS Name: 3-chloro-N-(2-methoxyethyl)-4-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethoxy]benzenesulfonamide IUPAC Name: 4-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethoxy]-3-chloro-N-(2-methoxyethyl)benzenesulfonamide Traditional Name: 4-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethoxy]-3-chloro-N-(2-methoxyethyl)benzenesulfonamide Formula: C22H29ClN3O5S+ MolecularWeight: 483.00076

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Descriptors Computed from Structure

Canonical SMILES:

COCCNS(=O)(=O)C1=CC(=C(C=C1)OCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)Cl

Isomeric SMILES

COCCNS(=O)(=O)C1=CC(=C(C=C1)OCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)Cl

InChI

InChI=1S/C22H28ClN3O5S/c1-30-14-9-24-32(28,29)19-7-8-21(20(23)15-19)31-17-22(27)26-12-10-25(11-13-26)16-18-5-3-2-4-6-18/h2-8,15,24H,9-14,16-17H2,1H3/p+1