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

Systemtic Name: 1-[(2-ethyl-6-methyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2-ethyl-6-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-3-carboxylic acid CAS Name: 1-[(2-ethyl-6-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2-ethyl-6-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2-ethyl-3-keto-6-methyl-4H-1,4-benzoxazin-7-yl)sulfonyl]nipecotic acid Formula: C17H22N2O6S MolecularWeight: 382.43138

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)NC2=C(O1)C=C(C(=C2)C)S(=O)(=O)N3CCCC(C3)C(=O)O

Isomeric SMILES

CCC1C(=O)NC2=C(O1)C=C(C(=C2)C)S(=O)(=O)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C17H22N2O6S/c1-3-13-16(20)18-12-7-10(2)15(8-14(12)25-13)26(23,24)19-6-4-5-11(9-19)17(21)22/h7-8,11,13H,3-6,9H2,1-2H3,(H,18,20)(H,21,22)