N-(1-pyrrol-1-id-2-ylbut-3-enyl)-7-sulfamoyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide

Systemtic Name: N-(1-pyrrol-1-id-2-ylbut-3-enyl)-7-sulfamoyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide Openeye Name: N-(1-pyrrol-1-id-2-ylbut-3-enyl)-7-sulfamoyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide CAS Name: N-[1-(2-pyrrol-1-idyl)but-3-enyl]-7-sulfamoyl-2,3-dihydro-1,4-benzodioxin-5-carboxamide IUPAC Name: N-(1-pyrrol-1-id-2-ylbut-3-enyl)-7-sulfamoyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide Traditional Name: N-(1-pyrrol-1-id-2-ylbut-3-enyl)-7-sulfamoyl-2,3-dihydro-1,4-benzodioxin-5-carboxamide Formula: C17H18N3O5S- MolecularWeight: 376.40692

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(C1=CC=C[N-]1)NC(=O)C2=CC(=CC3=C2OCCO3)S(=O)(=O)N

Isomeric SMILES

C=CCC(C1=CC=C[N-]1)NC(=O)C2=CC(=CC3=C2OCCO3)S(=O)(=O)N

InChI

InChI=1S/C17H18N3O5S/c1-2-4-14(13-5-3-6-19-13)20-17(21)12-9-11(26(18,22)23)10-15-16(12)25-8-7-24-15/h2-3,5-6,9-10,14H,1,4,7-8H2,(H,20,21)(H2,18,22,23)/q-1