2-methylpropyl 5-cyano-2-methyl-6-[3-[(phenylmethyl)sulfonylcarbamoyl]azetidin-1-yl]pyridine-3-carboxylate

Systemtic Name: 2-methylpropyl 5-cyano-2-methyl-6-[3-[(phenylmethyl)sulfonylcarbamoyl]azetidin-1-yl]pyridine-3-carboxylate Openeye Name: isobutyl 6-[3-(benzylsulfonylcarbamoyl)azetidin-1-yl]-5-cyano-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[3-[oxo-[(phenylmethyl)sulfonylamino]methyl]-1-azetidinyl]-3-pyridinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 6-[3-(benzylsulfonylcarbamoyl)azetidin-1-yl]-5-cyano-2-methylpyridine-3-carboxylate Traditional Name: 6-[3-(benzylsulfonylcarbamoyl)azetidin-1-yl]-5-cyano-2-methyl-nicotinic acid isobutyl ester Formula: C23H26N4O5S MolecularWeight: 470.54134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)N2CC(C2)C(=O)NS(=O)(=O)CC3=CC=CC=C3)C#N)C(=O)OCC(C)C

Isomeric SMILES

CC1=C(C=C(C(=N1)N2CC(C2)C(=O)NS(=O)(=O)CC3=CC=CC=C3)C#N)C(=O)OCC(C)C

InChI

InChI=1S/C23H26N4O5S/c1-15(2)13-32-23(29)20-9-18(10-24)21(25-16(20)3)27-11-19(12-27)22(28)26-33(30,31)14-17-7-5-4-6-8-17/h4-9,15,19H,11-14H2,1-3H3,(H,26,28)