N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C21H24N2O6S MolecularWeight: 432.49006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C2COC3=CC=CC=C3O2)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C2COC3=CC=CC=C3O2)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H24N2O6S/c1-2-27-18-10-9-15(13-20(18)30(25,26)23-11-5-6-12-23)22-21(24)19-14-28-16-7-3-4-8-17(16)29-19/h3-4,7-10,13,19H,2,5-6,11-12,14H2,1H3,(H,22,24)