N-[2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]-2,5-dimethyl-benzenesulfonamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]-2,5-dimethyl-benzenesulfonamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]-2,5-dimethyl-benzenesulfonamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)-2-(4-methyl-1-piperazinyl)ethyl]-2,5-dimethylbenzenesulfonamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]-2,5-dimethylbenzenesulfonamide Traditional Name: N-[2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazino)ethyl]-2,5-dimethyl-benzenesulfonamide Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)NCC(C2=CC3=C(C=C2)OCO3)N4CCN(CC4)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)NCC(C2=CC3=C(C=C2)OCO3)N4CCN(CC4)C

InChI

InChI=1S/C22H29N3O4S/c1-16-4-5-17(2)22(12-16)30(26,27)23-14-19(25-10-8-24(3)9-11-25)18-6-7-20-21(13-18)29-15-28-20/h4-7,12-13,19,23H,8-11,14-15H2,1-3H3