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

Systemtic Name: 7-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid Openeye Name: 7-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid CAS Name: 7-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid IUPAC Name: 7-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid Traditional Name: 7-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid Formula: C15H17N3O6S MolecularWeight: 367.37698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)S(=O)(=O)NC2=CC3=C(C=C2C(=O)O)OCCCO3

Isomeric SMILES

CC1=C(C(=NN1)C)S(=O)(=O)NC2=CC3=C(C=C2C(=O)O)OCCCO3

InChI

InChI=1S/C15H17N3O6S/c1-8-14(9(2)17-16-8)25(21,22)18-11-7-13-12(6-10(11)15(19)20)23-4-3-5-24-13/h6-7,18H,3-5H2,1-2H3,(H,16,17)(H,19,20)