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

Systemtic Name: 1-[(6-methyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-3-carboxylic acid Openeye Name: 1-[(6-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-3-carboxylic acid CAS Name: 1-[(6-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(6-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3-keto-6-methyl-4H-1,4-benzoxazin-7-yl)sulfonyl]nipecotic acid Formula: C15H18N2O6S MolecularWeight: 354.37822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1S(=O)(=O)N3CCCC(C3)C(=O)O)OCC(=O)N2

Isomeric SMILES

CC1=CC2=C(C=C1S(=O)(=O)N3CCCC(C3)C(=O)O)OCC(=O)N2

InChI

InChI=1S/C15H18N2O6S/c1-9-5-11-12(23-8-14(18)16-11)6-13(9)24(21,22)17-4-2-3-10(7-17)15(19)20/h5-6,10H,2-4,7-8H2,1H3,(H,16,18)(H,19,20)