N-(3-chloranyl-2-methyl-phenyl)-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]methanesulfonamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]methanesulfonamide Openeye Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-N-(3-chloro-2-methyl-phenyl)methanesulfonamide CAS Name: N-(3-chloro-2-methylphenyl)-N-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]methanesulfonamide IUPAC Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]-N-(3-chloro-2-methylphenyl)methanesulfonamide Traditional Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]-N-(3-chloro-2-methyl-phenyl)methanesulfonamide Formula: C21H27ClN3O3S+ MolecularWeight: 436.97538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N(CC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)N(CC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C21H26ClN3O3S/c1-17-19(22)9-6-10-20(17)25(29(2,27)28)16-21(26)24-13-11-23(12-14-24)15-18-7-4-3-5-8-18/h3-10H,11-16H2,1-2H3/p+1