2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-methyl-benzoic acid

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-methyl-benzoic acid Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-methyl-benzoic acid CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-methylbenzoic acid IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-methylbenzoic acid Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-methyl-benzoic acid Formula: C17H17NO6S MolecularWeight: 363.38498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)C(=O)O

InChI

InChI=1S/C17H17NO6S/c1-11-4-2-5-13(17(19)20)16(11)18-25(21,22)12-6-7-14-15(10-12)24-9-3-8-23-14/h2,4-7,10,18H,3,8-9H2,1H3,(H,19,20)