N-(4-chlorophenyl)-2-methoxy-5-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]benzenesulfonamide

Systemtic Name: N-(4-chlorophenyl)-2-methoxy-5-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]benzenesulfonamide Openeye Name: N-(4-chlorophenyl)-2-methoxy-5-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]benzenesulfonamide CAS Name: N-(4-chlorophenyl)-2-methoxy-5-methyl-N-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]benzenesulfonamide IUPAC Name: N-(4-chlorophenyl)-2-methoxy-5-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]benzenesulfonamide Traditional Name: N-(4-chlorophenyl)-N-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-2-methoxy-5-methyl-benzenesulfonamide Formula: C21H27ClN3O4S+ MolecularWeight: 452.97478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)S(=O)(=O)N(CC(=O)N2CC[NH+](CC2)C)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)OC)S(=O)(=O)N(CC(=O)N2CC[NH+](CC2)C)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H26ClN3O4S/c1-16-4-9-19(29-3)20(14-16)30(27,28)25(18-7-5-17(22)6-8-18)15-21(26)24-12-10-23(2)11-13-24/h4-9,14H,10-13,15H2,1-3H3/p+1