6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-methylbutan-2-yl)pyridine-3-sulfonamide

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-methylbutan-2-yl)pyridine-3-sulfonamide Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(1,1-dimethylpropyl)pyridine-3-sulfonamide CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-(2-methylbutan-2-yl)-3-pyridinesulfonamide IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-methylbutan-2-yl)pyridine-3-sulfonamide Traditional Name: N-tert-amyl-6-(4-piperonylpiperazino)pyridine-3-sulfonamide Formula: C22H30N4O4S MolecularWeight: 446.563

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NS(=O)(=O)C1=CN=C(C=C1)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC(C)(C)NS(=O)(=O)C1=CN=C(C=C1)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H30N4O4S/c1-4-22(2,3)24-31(27,28)18-6-8-21(23-14-18)26-11-9-25(10-12-26)15-17-5-7-19-20(13-17)30-16-29-19/h5-8,13-14,24H,4,9-12,15-16H2,1-3H3