N-(6-ethanoyl-1,3-benzodioxol-5-yl)-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-1-tosyl-isonipecotamide Formula: C22H24N2O6S MolecularWeight: 444.50076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3C(=O)C)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3C(=O)C)OCO4

InChI

InChI=1S/C22H24N2O6S/c1-14-3-5-17(6-4-14)31(27,28)24-9-7-16(8-10-24)22(26)23-19-12-21-20(29-13-30-21)11-18(19)15(2)25/h3-6,11-12,16H,7-10,13H2,1-2H3,(H,23,26)