N-(2,4-dimethylphenyl)-N-[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]methanesulfonamide

Systemtic Name: N-(2,4-dimethylphenyl)-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-(2,4-dimethylphenyl)methanesulfonamide CAS Name: N-(2,4-dimethylphenyl)-N-[2-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]methanesulfonamide IUPAC Name: N-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxoethyl]-N-(2,4-dimethylphenyl)methanesulfonamide Traditional Name: N-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-keto-ethyl]-N-(2,4-dimethylphenyl)methanesulfonamide Formula: C28H34N3O3S+ MolecularWeight: 492.65286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H33N3O3S/c1-22-14-15-26(23(2)20-22)31(35(3,33)34)21-27(32)29-16-18-30(19-17-29)28(24-10-6-4-7-11-24)25-12-8-5-9-13-25/h4-15,20,28H,16-19,21H2,1-3H3/p+1