[(2S)-1-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 6-chloranylpyridine-3-carboxylate

Systemtic Name: [(2S)-1-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 6-chloranylpyridine-3-carboxylate Openeye Name: [(1S)-1-methyl-2-(4-methyl-3-morpholinosulfonyl-anilino)-2-oxo-ethyl] 6-chloropyridine-3-carboxylate CAS Name: 6-chloro-3-pyridinecarboxylic acid [(2S)-1-[4-methyl-3-(4-morpholinylsulfonyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methyl-3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 6-chloropyridine-3-carboxylate Traditional Name: 6-chloronicotinic acid [(1S)-2-keto-1-methyl-2-(4-methyl-3-morpholinosulfonyl-anilino)ethyl] ester Formula: C20H22ClN3O6S MolecularWeight: 467.92318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)OC(=O)C2=CN=C(C=C2)Cl)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H](C)OC(=O)C2=CN=C(C=C2)Cl)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C20H22ClN3O6S/c1-13-3-5-16(11-17(13)31(27,28)24-7-9-29-10-8-24)23-19(25)14(2)30-20(26)15-4-6-18(21)22-12-15/h3-6,11-12,14H,7-10H2,1-2H3,(H,23,25)/t14-/m0/s1