N-(6-ethanoyl-1,3-benzodioxol-5-yl)-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-1-(2-thienylsulfonyl)piperidine-4-carboxamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-1-(2-thienylsulfonyl)isonipecotamide Formula: C19H20N2O6S2 MolecularWeight: 436.5019

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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=CS4)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4)OCO2

InChI

InChI=1S/C19H20N2O6S2/c1-12(22)14-9-16-17(27-11-26-16)10-15(14)20-19(23)13-4-6-21(7-5-13)29(24,25)18-3-2-8-28-18/h2-3,8-10,13H,4-7,11H2,1H3,(H,20,23)