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

Systemtic Name: ethyl 5-cyano-2-methyl-6-[3-[(4-methylphenyl)sulfonylcarbamoyl]azetidin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-[3-(p-tolylsulfonylcarbamoyl)azetidin-1-yl]pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[3-[[(4-methylphenyl)sulfonylamino]-oxomethyl]-1-azetidinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[3-[(4-methylphenyl)sulfonylcarbamoyl]azetidin-1-yl]pyridine-3-carboxylate Traditional Name: 5-cyano-2-methyl-6-[3-(tosylcarbamoyl)azetidin-1-yl]nicotinic acid ethyl ester Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H22N4O5S/c1-4-30-21(27)18-9-15(10-22)19(23-14(18)3)25-11-16(12-25)20(26)24-31(28,29)17-7-5-13(2)6-8-17/h5-9,16H,4,11-12H2,1-3H3,(H,24,26)