methyl 1-[2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-6-oxidanylidene-pyridine-3-carboxylate

Systemtic Name: methyl 1-[2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-6-oxidanylidene-pyridine-3-carboxylate Openeye Name: methyl 1-[2-[4-methyl-3-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl]-6-oxo-pyridine-3-carboxylate CAS Name: 1-[2-[4-methyl-3-(1-piperidinylsulfonyl)anilino]-2-oxoethyl]-6-oxo-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl]-6-oxopyridine-3-carboxylate Traditional Name: 6-keto-1-[2-keto-2-(4-methyl-3-piperidinosulfonyl-anilino)ethyl]nicotinic acid methyl ester Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CN2C=C(C=CC2=O)C(=O)OC)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CN2C=C(C=CC2=O)C(=O)OC)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H25N3O6S/c1-15-6-8-17(12-18(15)31(28,29)24-10-4-3-5-11-24)22-19(25)14-23-13-16(21(27)30-2)7-9-20(23)26/h6-9,12-13H,3-5,10-11,14H2,1-2H3,(H,22,25)