N-(5-chloranyl-2-methyl-phenyl)-N-[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]methanesulfonamide

Systemtic Name: N-(5-chloranyl-2-methyl-phenyl)-N-[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]methanesulfonamide Openeye Name: N-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-N-(5-chloro-2-methyl-phenyl)methanesulfonamide CAS Name: N-(5-chloro-2-methylphenyl)-N-[2-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]methanesulfonamide IUPAC Name: N-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxoethyl]-N-(5-chloro-2-methylphenyl)methanesulfonamide Traditional Name: N-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-keto-ethyl]-N-(5-chloro-2-methyl-phenyl)methanesulfonamide Formula: C27H31ClN3O3S+ MolecularWeight: 513.07134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N(CC(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N(CC(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)S(=O)(=O)C

InChI

InChI=1S/C27H30ClN3O3S/c1-21-13-14-24(28)19-25(21)31(35(2,33)34)20-26(32)29-15-17-30(18-16-29)27(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-14,19,27H,15-18,20H2,1-2H3/p+1