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

Systemtic Name: ethyl 5-cyano-2-methyl-6-[3-(phenylsulfonylcarbamoylamino)azetidin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[3-(benzenesulfonylcarbamoylamino)azetidin-1-yl]-5-cyano-2-methyl-pyridine-3-carboxylate CAS Name: 6-[3-[[benzenesulfonamido(oxo)methyl]amino]-1-azetidinyl]-5-cyano-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[3-(benzenesulfonylcarbamoylamino)azetidin-1-yl]-5-cyano-2-methylpyridine-3-carboxylate Traditional Name: 6-[3-(besylcarbamoylamino)azetidin-1-yl]-5-cyano-2-methyl-nicotinic acid ethyl ester Formula: C20H21N5O5S MolecularWeight: 443.47624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O5S/c1-3-30-19(26)17-9-14(10-21)18(22-13(17)2)25-11-15(12-25)23-20(27)24-31(28,29)16-7-5-4-6-8-16/h4-9,15H,3,11-12H2,1-2H3,(H2,23,24,27)