5-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonyl-N,2,3-trimethyl-benzenesulfonamide

Systemtic Name: 5-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonyl-N,2,3-trimethyl-benzenesulfonamide Openeye Name: 5-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-N,2,3-trimethyl-benzenesulfonamide CAS Name: 5-[[4-(diphenylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-N,2,3-trimethylbenzenesulfonamide IUPAC Name: 5-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-N,2,3-trimethylbenzenesulfonamide Traditional Name: 5-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-N,2,3-trimethyl-benzenesulfonamide Formula: C27H32N3O3S+ MolecularWeight: 478.62628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31N3O3S/c1-20-18-24(19-25(21(20)2)34(32,33)28-3)27(31)30-16-14-29(15-17-30)26(22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-13,18-19,26,28H,14-17H2,1-3H3/p+1