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

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-1-(phenylsulfonyl)piperidine-4-carboxamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-1-(benzenesulfonyl)piperidine-4-carboxamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-1-(benzenesulfonyl)-4-piperidinecarboxamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-1-(benzenesulfonyl)piperidine-4-carboxamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-1-besyl-isonipecotamide Formula: C21H22N2O6S MolecularWeight: 430.47418

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)OCO2

InChI

InChI=1S/C21H22N2O6S/c1-14(24)17-11-19-20(29-13-28-19)12-18(17)22-21(25)15-7-9-23(10-8-15)30(26,27)16-5-3-2-4-6-16/h2-6,11-12,15H,7-10,13H2,1H3,(H,22,25)