1-[(2,6-dimethyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(2,6-dimethyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2,6-dimethyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-4-carboxylic acid CAS Name: 1-[(2,6-dimethyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2,6-dimethyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3-keto-2,6-dimethyl-4H-1,4-benzoxazin-7-yl)sulfonyl]isonipecotic acid Formula: C16H20N2O6S MolecularWeight: 368.4048

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(O1)C=C(C(=C2)C)S(=O)(=O)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1C(=O)NC2=C(O1)C=C(C(=C2)C)S(=O)(=O)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C16H20N2O6S/c1-9-7-12-13(24-10(2)15(19)17-12)8-14(9)25(22,23)18-5-3-11(4-6-18)16(20)21/h7-8,10-11H,3-6H2,1-2H3,(H,17,19)(H,20,21)