4-[[(6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[(6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonylamino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonylamino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[(6-chloro-3-keto-4H-1,4-benzoxazin-7-yl)sulfonylamino]methyl]cyclohexanecarboxylic acid Formula: C16H19ClN2O6S MolecularWeight: 402.84986

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNS(=O)(=O)C2=C(C=C3C(=C2)OCC(=O)N3)Cl)C(=O)O

Isomeric SMILES

C1CC(CCC1CNS(=O)(=O)C2=C(C=C3C(=C2)OCC(=O)N3)Cl)C(=O)O

InChI

InChI=1S/C16H19ClN2O6S/c17-11-5-12-13(25-8-15(20)19-12)6-14(11)26(23,24)18-7-9-1-3-10(4-2-9)16(21)22/h5-6,9-10,18H,1-4,7-8H2,(H,19,20)(H,21,22)