4-[(6-chloranyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)carbonylamino]benzoic acid

Systemtic Name: 4-[(6-chloranyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)carbonylamino]benzoic acid Openeye Name: 4-[(6-chloro-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)amino]benzoic acid CAS Name: 4-[[(6-chloro-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)-oxomethyl]amino]benzoic acid IUPAC Name: 4-[(6-chloro-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)amino]benzoic acid Traditional Name: 4-[(6-chloro-4-mesyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)amino]benzoic acid Formula: C17H15ClN2O6S MolecularWeight: 410.8288

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC(OC2=C1C=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CS(=O)(=O)N1CC(OC2=C1C=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C17H15ClN2O6S/c1-27(24,25)20-9-15(26-14-7-4-11(18)8-13(14)20)16(21)19-12-5-2-10(3-6-12)17(22)23/h2-8,15H,9H2,1H3,(H,19,21)(H,22,23)