3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-N-(4-ethoxyphenyl)-N,4-dimethyl-benzenesulfonamide

Systemtic Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-N-(4-ethoxyphenyl)-N,4-dimethyl-benzenesulfonamide Openeye Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-N-(4-ethoxyphenyl)-N,4-dimethyl-benzenesulfonamide CAS Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-N-(4-ethoxyphenyl)-N,4-dimethylbenzenesulfonamide IUPAC Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-N-(4-ethoxyphenyl)-N,4-dimethylbenzenesulfonamide Traditional Name: N,4-dimethyl-3-(4-piperonylpiperazine-1-carbonyl)-N-p-phenetyl-benzenesulfonamide Formula: C29H33N3O6S MolecularWeight: 551.65382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC(=C(C=C2)C)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC(=C(C=C2)C)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C29H33N3O6S/c1-4-36-24-9-7-23(8-10-24)30(3)39(34,35)25-11-5-21(2)26(18-25)29(33)32-15-13-31(14-16-32)19-22-6-12-27-28(17-22)38-20-37-27/h5-12,17-18H,4,13-16,19-20H2,1-3H3