7-[(4-morpholin-4-ylsulfonylphenyl)sulfonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid

Systemtic Name: 7-[(4-morpholin-4-ylsulfonylphenyl)sulfonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid Openeye Name: 7-[(4-morpholinosulfonylphenyl)sulfonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid CAS Name: 7-[[4-(4-morpholinylsulfonyl)phenyl]sulfonylamino]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid IUPAC Name: 7-[(4-morpholin-4-ylsulfonylphenyl)sulfonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid Traditional Name: 7-[(4-morpholinosulfonylphenyl)sulfonylamino]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid Formula: C20H22N2O9S2 MolecularWeight: 498.52668

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C(=C2)C(=O)O)NS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)OC1

Isomeric SMILES

C1COC2=C(C=C(C(=C2)C(=O)O)NS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)OC1

InChI

InChI=1S/C20H22N2O9S2/c23-20(24)16-12-18-19(31-9-1-8-30-18)13-17(16)21-32(25,26)14-2-4-15(5-3-14)33(27,28)22-6-10-29-11-7-22/h2-5,12-13,21H,1,6-11H2,(H,23,24)