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

Systemtic Name: N-[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-N-(4-methylphenyl)methanesulfonamide Openeye Name: N-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-N-(p-tolyl)methanesulfonamide CAS Name: N-[2-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]-N-(4-methylphenyl)methanesulfonamide IUPAC Name: N-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxoethyl]-N-(4-methylphenyl)methanesulfonamide Traditional Name: N-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-keto-ethyl]-N-(p-tolyl)methanesulfonamide Formula: C27H32N3O3S+ MolecularWeight: 478.62628

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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

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

InChI

InChI=1S/C27H31N3O3S/c1-22-13-15-25(16-14-22)30(34(2,32)33)21-26(31)28-17-19-29(20-18-28)27(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-16,27H,17-21H2,1-2H3/p+1