N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-N-cyclohexyl-benzenesulfonamide

Systemtic Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-N-cyclohexyl-benzenesulfonamide Openeye Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]-N-cyclohexyl-benzenesulfonamide CAS Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]-N-cyclohexylbenzenesulfonamide IUPAC Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl]-N-cyclohexylbenzenesulfonamide Traditional Name: N-cyclohexyl-N-[2-keto-2-(4-piperonylpiperazin-4-ium-1-yl)ethyl]benzenesulfonamide Formula: C26H34N3O5S+ MolecularWeight: 500.63026

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(CC(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)N(CC(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H33N3O5S/c30-26(19-29(22-7-3-1-4-8-22)35(31,32)23-9-5-2-6-10-23)28-15-13-27(14-16-28)18-21-11-12-24-25(17-21)34-20-33-24/h2,5-6,9-12,17,22H,1,3-4,7-8,13-16,18-20H2/p+1