3-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)phenyl]sulfonylamino]benzoic acid

Systemtic Name: 3-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)phenyl]sulfonylamino]benzoic acid Openeye Name: 3-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)phenyl]sulfonylamino]benzoic acid CAS Name: 3-[[3-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-oxomethyl]phenyl]sulfonylamino]benzoic acid IUPAC Name: 3-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)phenyl]sulfonylamino]benzoic acid Traditional Name: 3-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)phenyl]sulfonylamino]benzoic acid Formula: C23H20N2O7S MolecularWeight: 468.4791

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)NC4=CC=CC(=C4)C(=O)O)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)NC4=CC=CC(=C4)C(=O)O)OC1

InChI

InChI=1S/C23H20N2O7S/c26-22(24-17-8-9-20-21(14-17)32-11-3-10-31-20)15-4-2-7-19(13-15)33(29,30)25-18-6-1-5-16(12-18)23(27)28/h1-2,4-9,12-14,25H,3,10-11H2,(H,24,26)(H,27,28)