4-[3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-N-propyl-benzenesulfonamide

Systemtic Name: 4-[3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-N-propyl-benzenesulfonamide Openeye Name: 4-[3-(4-benzhydrylpiperazin-4-ium-1-yl)-3-oxo-propyl]-N-propyl-benzenesulfonamide CAS Name: 4-[3-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-3-oxopropyl]-N-propylbenzenesulfonamide IUPAC Name: 4-[3-(4-benzhydrylpiperazin-4-ium-1-yl)-3-oxopropyl]-N-propylbenzenesulfonamide Traditional Name: 4-[3-(4-benzhydrylpiperazin-4-ium-1-yl)-3-keto-propyl]-N-propyl-benzenesulfonamide Formula: C29H36N3O3S+ MolecularWeight: 506.67944

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Descriptors Computed from Structure

Canonical SMILES:

CCCNS(=O)(=O)C1=CC=C(C=C1)CCC(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCNS(=O)(=O)C1=CC=C(C=C1)CCC(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H35N3O3S/c1-2-19-30-36(34,35)27-16-13-24(14-17-27)15-18-28(33)31-20-22-32(23-21-31)29(25-9-5-3-6-10-25)26-11-7-4-8-12-26/h3-14,16-17,29-30H,2,15,18-23H2,1H3/p+1