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

Systemtic Name: 1-[(2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)sulfonyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]piperidine-3-carboxylic acid CAS Name: 1-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3-keto-2-methyl-4H-1,4-benzoxazin-6-yl)sulfonyl]nipecotic acid Formula: C15H18N2O6S MolecularWeight: 354.37822

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(O1)C=CC(=C2)S(=O)(=O)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC1C(=O)NC2=C(O1)C=CC(=C2)S(=O)(=O)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C15H18N2O6S/c1-9-14(18)16-12-7-11(4-5-13(12)23-9)24(21,22)17-6-2-3-10(8-17)15(19)20/h4-5,7,9-10H,2-3,6,8H2,1H3,(H,16,18)(H,19,20)