[2-[[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]amino]-2-oxidanylidene-ethyl] 2-chloranylpyridine-4-carboxylate

Systemtic Name: [2-[[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]amino]-2-oxidanylidene-ethyl] 2-chloranylpyridine-4-carboxylate Openeye Name: [2-[4-[(3,5-dimethyl-1-piperidyl)sulfonyl]anilino]-2-oxo-ethyl] 2-chloropyridine-4-carboxylate CAS Name: 2-chloro-4-pyridinecarboxylic acid [2-[4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(3,5-dimethylpiperidin-1-yl)sulfonylanilino]-2-oxoethyl] 2-chloropyridine-4-carboxylate Traditional Name: 2-chloroisonicotinic acid [2-[4-(3,5-dimethylpiperidino)sulfonylanilino]-2-keto-ethyl] ester Formula: C21H24ClN3O5S MolecularWeight: 465.95036

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC(=NC=C3)Cl)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC(=NC=C3)Cl)C

InChI

InChI=1S/C21H24ClN3O5S/c1-14-9-15(2)12-25(11-14)31(28,29)18-5-3-17(4-6-18)24-20(26)13-30-21(27)16-7-8-23-19(22)10-16/h3-8,10,14-15H,9,11-13H2,1-2H3,(H,24,26)