N-[1-[4-(diphenylmethyl)piperazin-1-ium-1-yl]-2-methyl-propan-2-yl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[1-[4-(diphenylmethyl)piperazin-1-ium-1-yl]-2-methyl-propan-2-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[2-(4-benzhydrylpiperazin-1-ium-1-yl)-1,1-dimethyl-ethyl]-4-methyl-benzenesulfonamide CAS Name: N-[1-[4-(diphenylmethyl)-1-piperazin-1-iumyl]-2-methylpropan-2-yl]-4-methylbenzenesulfonamide IUPAC Name: N-[1-(4-benzhydrylpiperazin-1-ium-1-yl)-2-methylpropan-2-yl]-4-methylbenzenesulfonamide Traditional Name: N-[2-(4-benzhydrylpiperazin-1-ium-1-yl)-1,1-dimethyl-ethyl]-4-methyl-benzenesulfonamide Formula: C28H36N3O2S+ MolecularWeight: 478.66934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C)(C)C[NH+]2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(C)(C)C[NH+]2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H35N3O2S/c1-23-14-16-26(17-15-23)34(32,33)29-28(2,3)22-30-18-20-31(21-19-30)27(24-10-6-4-7-11-24)25-12-8-5-9-13-25/h4-17,27,29H,18-22H2,1-3H3/p+1