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

Systemtic Name: N-[(2S)-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-1-oxidanylidene-propan-2-yl]-N-(4-methylphenyl)methanesulfonamide Openeye Name: N-[(1S)-2-(4-benzhydrylpiperazin-4-ium-1-yl)-1-methyl-2-oxo-ethyl]-N-(p-tolyl)methanesulfonamide CAS Name: N-[(2S)-1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-1-oxopropan-2-yl]-N-(4-methylphenyl)methanesulfonamide IUPAC Name: N-[(2S)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]-N-(4-methylphenyl)methanesulfonamide Traditional Name: N-[(1S)-2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-keto-1-methyl-ethyl]-N-(p-tolyl)methanesulfonamide Formula: C28H34N3O3S+ MolecularWeight: 492.65286

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H33N3O3S/c1-22-14-16-26(17-15-22)31(35(3,33)34)23(2)28(32)30-20-18-29(19-21-30)27(24-10-6-4-7-11-24)25-12-8-5-9-13-25/h4-17,23,27H,18-21H2,1-3H3/p+1/t23-/m0/s1