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

Systemtic Name: (phenylmethyl) 5-cyano-2-methyl-6-[3-[(phenylmethyl)sulfonylcarbamoyl]azetidin-1-yl]pyridine-3-carboxylate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C26H24N4O5S MolecularWeight: 504.55756

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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)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C(=N1)N2CC(C2)C(=O)NS(=O)(=O)CC3=CC=CC=C3)C#N)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H24N4O5S/c1-18-23(26(32)35-16-19-8-4-2-5-9-19)12-21(13-27)24(28-18)30-14-22(15-30)25(31)29-36(33,34)17-20-10-6-3-7-11-20/h2-12,22H,14-17H2,1H3,(H,29,31)