4-[(4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)carbonylamino]benzoic acid

Systemtic Name: 4-[(4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)carbonylamino]benzoic acid Openeye Name: 4-[(4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)amino]benzoic acid CAS Name: 4-[[(4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)-oxomethyl]amino]benzoic acid IUPAC Name: 4-[(4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)amino]benzoic acid Traditional Name: 4-[(4-esyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)amino]benzoic acid Formula: C18H18N2O6S MolecularWeight: 390.41032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC(OC2=CC=CC=C21)C(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCS(=O)(=O)N1CC(OC2=CC=CC=C21)C(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C18H18N2O6S/c1-2-27(24,25)20-11-16(26-15-6-4-3-5-14(15)20)17(21)19-13-9-7-12(8-10-13)18(22)23/h3-10,16H,2,11H2,1H3,(H,19,21)(H,22,23)