7-[(1-ethanoyl-2,3-dihydroindol-5-yl)sulfonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid

Systemtic Name: 7-[(1-ethanoyl-2,3-dihydroindol-5-yl)sulfonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid Openeye Name: 7-[(1-acetylindolin-5-yl)sulfonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid CAS Name: 7-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid IUPAC Name: 7-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid Traditional Name: 7-[(1-acetylindolin-5-yl)sulfonylamino]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid Formula: C20H20N2O7S MolecularWeight: 432.447

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)NC3=CC4=C(C=C3C(=O)O)OCCCO4

Isomeric SMILES

CC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)NC3=CC4=C(C=C3C(=O)O)OCCCO4

InChI

InChI=1S/C20H20N2O7S/c1-12(23)22-6-5-13-9-14(3-4-17(13)22)30(26,27)21-16-11-19-18(10-15(16)20(24)25)28-7-2-8-29-19/h3-4,9-11,21H,2,5-8H2,1H3,(H,24,25)