N-[4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]methanesulfonamide

Systemtic Name: N-[4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]methanesulfonamide Openeye Name: N-[4-(4-benzhydrylpiperazin-4-ium-1-carbonyl)phenyl]methanesulfonamide CAS Name: N-[4-[[4-(diphenylmethyl)-1-piperazin-4-iumyl]-oxomethyl]phenyl]methanesulfonamide IUPAC Name: N-[4-(4-benzhydrylpiperazin-4-ium-1-carbonyl)phenyl]methanesulfonamide Traditional Name: N-[4-(4-benzhydrylpiperazin-4-ium-1-carbonyl)phenyl]methanesulfonamide Formula: C25H28N3O3S+ MolecularWeight: 450.57312

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)NC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H27N3O3S/c1-32(30,31)26-23-14-12-22(13-15-23)25(29)28-18-16-27(17-19-28)24(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,24,26H,16-19H2,1H3/p+1