N-(3-chlorophenyl)-N-[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]methanesulfonamide

Systemtic Name: N-(3-chlorophenyl)-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-(3-chlorophenyl)methanesulfonamide CAS Name: N-(3-chlorophenyl)-N-[2-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]methanesulfonamide IUPAC Name: N-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxoethyl]-N-(3-chlorophenyl)methanesulfonamide Traditional Name: N-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-keto-ethyl]-N-(3-chlorophenyl)methanesulfonamide Formula: C26H29ClN3O3S+ MolecularWeight: 499.04476

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)N1CC[NH+](CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CS(=O)(=O)N(CC(=O)N1CC[NH+](CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C26H28ClN3O3S/c1-34(32,33)30(24-14-8-13-23(27)19-24)20-25(31)28-15-17-29(18-16-28)26(21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-14,19,26H,15-18,20H2,1H3/p+1