N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-N-(2-methoxy-5-methyl-phenyl)methanesulfonamide

Systemtic Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-N-(2-methoxy-5-methyl-phenyl)methanesulfonamide Openeye Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]-N-(2-methoxy-5-methyl-phenyl)methanesulfonamide CAS Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)methanesulfonamide IUPAC Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)methanesulfonamide Traditional Name: N-[2-keto-2-(4-piperonylpiperazin-4-ium-1-yl)ethyl]-N-(2-methoxy-5-methyl-phenyl)methanesulfonamide Formula: C23H30N3O6S+ MolecularWeight: 476.5658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N(CC(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N(CC(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)S(=O)(=O)C

InChI

InChI=1S/C23H29N3O6S/c1-17-4-6-20(30-2)19(12-17)26(33(3,28)29)15-23(27)25-10-8-24(9-11-25)14-18-5-7-21-22(13-18)32-16-31-21/h4-7,12-13H,8-11,14-16H2,1-3H3/p+1