2-[6-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-oxidanylidene-1,4-benzoxazin-4-yl]ethanoic acid

Systemtic Name: 2-[6-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-oxidanylidene-1,4-benzoxazin-4-yl]ethanoic acid Openeye Name: 2-[6-[(3,5-dimethyl-1-piperidyl)sulfonyl]-3-oxo-1,4-benzoxazin-4-yl]acetic acid CAS Name: 2-[6-[(3,5-dimethyl-1-piperidinyl)sulfonyl]-3-oxo-1,4-benzoxazin-4-yl]acetic acid IUPAC Name: 2-[6-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-oxo-1,4-benzoxazin-4-yl]acetic acid Traditional Name: 2-[6-(3,5-dimethylpiperidino)sulfonyl-3-keto-1,4-benzoxazin-4-yl]acetic acid Formula: C17H22N2O6S MolecularWeight: 382.43138

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3CC(=O)O)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3CC(=O)O)C

InChI

InChI=1S/C17H22N2O6S/c1-11-5-12(2)8-18(7-11)26(23,24)13-3-4-15-14(6-13)19(9-17(21)22)16(20)10-25-15/h3-4,6,11-12H,5,7-10H2,1-2H3,(H,21,22)