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

Systemtic Name: methyl 1-[[4-(phenylsulfonyl)-2,3-dihydro-1,4-benzoxazin-2-yl]carbonyl]piperidine-4-carboxylate Openeye Name: methyl 1-[4-(benzenesulfonyl)-2,3-dihydro-1,4-benzoxazine-2-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[4-(benzenesulfonyl)-2,3-dihydro-1,4-benzoxazin-2-yl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-(benzenesulfonyl)-2,3-dihydro-1,4-benzoxazine-2-carbonyl]piperidine-4-carboxylate Traditional Name: 1-(4-besyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)isonipecotic acid methyl ester Formula: C22H24N2O6S MolecularWeight: 444.50076

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)C2CN(C3=CC=CC=C3O2)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)C2CN(C3=CC=CC=C3O2)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H24N2O6S/c1-29-22(26)16-11-13-23(14-12-16)21(25)20-15-24(18-9-5-6-10-19(18)30-20)31(27,28)17-7-3-2-4-8-17/h2-10,16,20H,11-15H2,1H3