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

Systemtic Name: N-(6-cyano-1,3-benzodioxol-5-yl)-4-methoxy-3-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-(6-cyano-1,3-benzodioxol-5-yl)-4-methoxy-3-morpholinosulfonyl-benzamide CAS Name: N-(6-cyano-1,3-benzodioxol-5-yl)-4-methoxy-3-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-(6-cyano-1,3-benzodioxol-5-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide Traditional Name: N-(6-cyano-1,3-benzodioxol-5-yl)-4-methoxy-3-morpholinosulfonyl-benzamide Formula: C20H19N3O7S MolecularWeight: 445.44576

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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)N4CCOCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2C#N)OCO3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C20H19N3O7S/c1-27-16-3-2-13(9-19(16)31(25,26)23-4-6-28-7-5-23)20(24)22-15-10-18-17(29-12-30-18)8-14(15)11-21/h2-3,8-10H,4-7,12H2,1H3,(H,22,24)