N-[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]benzenesulfonamide

Systemtic Name: N-[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]benzenesulfonamide Openeye Name: N-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxo-ethyl]benzenesulfonamide CAS Name: N-[2-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]benzenesulfonamide IUPAC Name: N-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxoethyl]benzenesulfonamide Traditional Name: N-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-keto-ethyl]benzenesulfonamide Formula: C25H28N3O3S+ MolecularWeight: 450.57312

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CNS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CNS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H27N3O3S/c29-24(20-26-32(30,31)23-14-8-3-9-15-23)27-16-18-28(19-17-27)25(21-10-4-1-5-11-21)22-12-6-2-7-13-22/h1-15,25-26H,16-20H2/p+1