N-(6-cyano-1,3-benzodioxol-5-yl)-4-methoxy-3-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(6-cyano-1,3-benzodioxol-5-yl)-4-methoxy-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-(6-cyano-1,3-benzodioxol-5-yl)-4-methoxy-3-(1-piperidylsulfonyl)benzamide CAS Name: N-(6-cyano-1,3-benzodioxol-5-yl)-4-methoxy-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-(6-cyano-1,3-benzodioxol-5-yl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide Traditional Name: N-(6-cyano-1,3-benzodioxol-5-yl)-4-methoxy-3-piperidinosulfonyl-benzamide Formula: C21H21N3O6S MolecularWeight: 443.47294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2C#N)OCO3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2C#N)OCO3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C21H21N3O6S/c1-28-17-6-5-14(10-20(17)31(26,27)24-7-3-2-4-8-24)21(25)23-16-11-19-18(29-13-30-19)9-15(16)12-22/h5-6,9-11H,2-4,7-8,13H2,1H3,(H,23,25)