6-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-N,N-diethyl-pyridine-3-sulfonamide

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-N,N-diethyl-pyridine-3-sulfonamide Openeye Name: 6-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-N,N-diethyl-pyridine-3-sulfonamide CAS Name: 6-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperazinyl]-N,N-diethyl-3-pyridinesulfonamide IUPAC Name: 6-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-N,N-diethylpyridine-3-sulfonamide Traditional Name: N,N-diethyl-6-(4-piperonyloylpiperazino)pyridine-3-sulfonamide Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CN=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CN=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H26N4O5S/c1-3-25(4-2)31(27,28)17-6-8-20(22-14-17)23-9-11-24(12-10-23)21(26)16-5-7-18-19(13-16)30-15-29-18/h5-8,13-14H,3-4,9-12,15H2,1-2H3