methyl 1-[(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)carbonyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)carbonyl]piperidine-4-carboxylate Openeye Name: methyl 1-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)piperidine-4-carboxylate CAS Name: 1-[(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(4-mesyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)isonipecotic acid methyl ester Formula: C17H22N2O6S MolecularWeight: 382.43138

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)C2CN(C3=CC=CC=C3O2)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)C2CN(C3=CC=CC=C3O2)S(=O)(=O)C

InChI

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