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

Systemtic Name: N-cyclohexyl-4-[3-oxidanylidene-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propyl]benzenesulfonamide Openeye Name: 4-[3-(4-benzylpiperazin-4-ium-1-yl)-3-oxo-propyl]-N-cyclohexyl-benzenesulfonamide CAS Name: N-cyclohexyl-4-[3-oxo-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]propyl]benzenesulfonamide IUPAC Name: 4-[3-(4-benzylpiperazin-4-ium-1-yl)-3-oxopropyl]-N-cyclohexylbenzenesulfonamide Traditional Name: 4-[3-(4-benzylpiperazin-4-ium-1-yl)-3-keto-propyl]-N-cyclohexyl-benzenesulfonamide Formula: C26H36N3O3S+ MolecularWeight: 470.64734

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NS(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)NS(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H35N3O3S/c30-26(29-19-17-28(18-20-29)21-23-7-3-1-4-8-23)16-13-22-11-14-25(15-12-22)33(31,32)27-24-9-5-2-6-10-24/h1,3-4,7-8,11-12,14-15,24,27H,2,5-6,9-10,13,16-21H2/p+1