N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C21H24N2O6S MolecularWeight: 432.49006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)OCCO3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)OCCO3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H24N2O6S/c1-2-27-18-8-6-16(14-20(18)30(25,26)23-9-3-4-10-23)22-21(24)15-5-7-17-19(13-15)29-12-11-28-17/h5-8,13-14H,2-4,9-12H2,1H3,(H,22,24)