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

Systemtic Name: N-(6-cyano-1,3-benzodioxol-5-yl)-4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(6-cyano-1,3-benzodioxol-5-yl)-4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(6-cyano-1,3-benzodioxol-5-yl)-4-methoxy-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(6-cyano-1,3-benzodioxol-5-yl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(6-cyano-1,3-benzodioxol-5-yl)-4-methoxy-3-pyrrolidinosulfonyl-benzamide Formula: C20H19N3O6S MolecularWeight: 429.44636

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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)N4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2C#N)OCO3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C20H19N3O6S/c1-27-16-5-4-13(9-19(16)30(25,26)23-6-2-3-7-23)20(24)22-15-10-18-17(28-12-29-18)8-14(15)11-21/h4-5,8-10H,2-3,6-7,12H2,1H3,(H,22,24)