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

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-1-(4-methoxyphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-1-(4-methoxyphenyl)sulfonyl-isonipecotamide Formula: C22H24N2O7S MolecularWeight: 460.50016

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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=C(C=C4)OC)OCO2

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O7S/c1-14(25)18-11-20-21(31-13-30-20)12-19(18)23-22(26)15-7-9-24(10-8-15)32(27,28)17-5-3-16(29-2)4-6-17/h3-6,11-12,15H,7-10,13H2,1-2H3,(H,23,26)