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

Systemtic Name: 1-[(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)sulfonylamino]cyclohexane-1-carboxylic acid Openeye Name: 1-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]cyclohexanecarboxylic acid CAS Name: 1-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]cyclohexane-1-carboxylic acid Traditional Name: 1-[(3-keto-4H-1,4-benzoxazin-6-yl)sulfonylamino]cyclohexanecarboxylic acid Formula: C15H18N2O6S MolecularWeight: 354.37822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)O)NS(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3

Isomeric SMILES

C1CCC(CC1)(C(=O)O)NS(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3

InChI

InChI=1S/C15H18N2O6S/c18-13-9-23-12-5-4-10(8-11(12)16-13)24(21,22)17-15(14(19)20)6-2-1-3-7-15/h4-5,8,17H,1-3,6-7,9H2,(H,16,18)(H,19,20)