ethyl 5-cyano-2-methyl-6-[3-[methyl-(4-methylphenyl)sulfonyl-carbamoyl]azetidin-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-methyl-6-[3-[methyl-(4-methylphenyl)sulfonyl-carbamoyl]azetidin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-[3-[methyl(p-tolylsulfonyl)carbamoyl]azetidin-1-yl]pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[3-[[methyl-(4-methylphenyl)sulfonylamino]-oxomethyl]-1-azetidinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[3-[methyl-(4-methylphenyl)sulfonylcarbamoyl]azetidin-1-yl]pyridine-3-carboxylate Traditional Name: 5-cyano-2-methyl-6-[3-[methyl(tosyl)carbamoyl]azetidin-1-yl]nicotinic acid ethyl ester Formula: C22H24N4O5S MolecularWeight: 456.51476

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CC(C2)C(=O)N(C)S(=O)(=O)C3=CC=C(C=C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CC(C2)C(=O)N(C)S(=O)(=O)C3=CC=C(C=C3)C)C

InChI

InChI=1S/C22H24N4O5S/c1-5-31-22(28)19-10-16(11-23)20(24-15(19)3)26-12-17(13-26)21(27)25(4)32(29,30)18-8-6-14(2)7-9-18/h6-10,17H,5,12-13H2,1-4H3