4-chloranyl-3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonyl-N,N-diethyl-benzenesulfonamide

Systemtic Name: 4-chloranyl-3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonyl-N,N-diethyl-benzenesulfonamide Openeye Name: 3-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-4-chloro-N,N-diethyl-benzenesulfonamide CAS Name: 4-chloro-3-[[4-(diphenylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-N,N-diethylbenzenesulfonamide IUPAC Name: 3-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-4-chloro-N,N-diethylbenzenesulfonamide Traditional Name: 3-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-4-chloro-N,N-diethyl-benzenesulfonamide Formula: C28H33ClN3O3S+ MolecularWeight: 527.09792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32ClN3O3S/c1-3-32(4-2)36(34,35)24-15-16-26(29)25(21-24)28(33)31-19-17-30(18-20-31)27(22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-16,21,27H,3-4,17-20H2,1-2H3/p+1