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

Systemtic Name: 3-chloranyl-4-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethoxy]-N-propan-2-yl-benzenesulfonamide Openeye Name: 4-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethoxy]-3-chloro-N-isopropyl-benzenesulfonamide CAS Name: 3-chloro-4-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethoxy]-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethoxy]-3-chloro-N-propan-2-ylbenzenesulfonamide Traditional Name: 4-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethoxy]-3-chloro-N-isopropyl-benzenesulfonamide Formula: C22H29ClN3O4S+ MolecularWeight: 467.00136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28ClN3O4S/c1-17(2)24-31(28,29)19-8-9-21(20(23)14-19)30-16-22(27)26-12-10-25(11-13-26)15-18-6-4-3-5-7-18/h3-9,14,17,24H,10-13,15-16H2,1-2H3/p+1