4-[[(2-ethyl-3-oxidanylidene-4H-1,4-benzothiazin-6-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[(2-ethyl-3-oxidanylidene-4H-1,4-benzothiazin-6-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[(2-ethyl-3-oxo-4H-1,4-benzothiazin-6-yl)sulfonylamino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[(2-ethyl-3-oxo-4H-1,4-benzothiazin-6-yl)sulfonylamino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[(2-ethyl-3-oxo-4H-1,4-benzothiazin-6-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[(2-ethyl-3-keto-4H-1,4-benzothiazin-6-yl)sulfonylamino]methyl]cyclohexanecarboxylic acid Formula: C18H24N2O5S2 MolecularWeight: 412.52356

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)NCC3CCC(CC3)C(=O)O

Isomeric SMILES

CCC1C(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)NCC3CCC(CC3)C(=O)O

InChI

InChI=1S/C18H24N2O5S2/c1-2-15-17(21)20-14-9-13(7-8-16(14)26-15)27(24,25)19-10-11-3-5-12(6-4-11)18(22)23/h7-9,11-12,15,19H,2-6,10H2,1H3,(H,20,21)(H,22,23)