5-methoxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide

Systemtic Name: 5-methoxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide Openeye Name: 5-methoxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide CAS Name: 5-methoxy-N-[3-(1-pyrrolidinylsulfonyl)phenyl]-2,3-dihydro-1,4-benzodioxin-7-carboxamide IUPAC Name: 5-methoxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide Traditional Name: 5-methoxy-N-(3-pyrrolidinosulfonylphenyl)-2,3-dihydro-1,4-benzodioxin-7-carboxamide Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCO2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=CC(=CC2=C1OCCO2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C20H22N2O6S/c1-26-17-11-14(12-18-19(17)28-10-9-27-18)20(23)21-15-5-4-6-16(13-15)29(24,25)22-7-2-3-8-22/h4-6,11-13H,2-3,7-10H2,1H3,(H,21,23)