propan-2-yl 4-[1-(4-methylsulfonylphenyl)-2-oxidanylidene-pyridin-4-yl]oxyazepane-1-carboxylate

Systemtic Name: propan-2-yl 4-[1-(4-methylsulfonylphenyl)-2-oxidanylidene-pyridin-4-yl]oxyazepane-1-carboxylate Openeye Name: isopropyl 4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridyl]oxy]azepane-1-carboxylate CAS Name: 4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]-1-azepanecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[1-(4-methylsulfonylphenyl)-2-oxopyridin-4-yl]oxyazepane-1-carboxylate Traditional Name: 4-[[2-keto-1-(4-mesylphenyl)-4-pyridyl]oxy]azepane-1-carboxylic acid isopropyl ester Formula: C22H28N2O6S MolecularWeight: 448.53252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)N1CCCC(CC1)OC2=CC(=O)N(C=C2)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC(C)OC(=O)N1CCCC(CC1)OC2=CC(=O)N(C=C2)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C22H28N2O6S/c1-16(2)29-22(26)23-12-4-5-18(10-13-23)30-19-11-14-24(21(25)15-19)17-6-8-20(9-7-17)31(3,27)28/h6-9,11,14-16,18H,4-5,10,12-13H2,1-3H3