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

Systemtic Name: [2-[[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]amino]-2-oxidanylidene-ethyl] 1-methylpyrazole-4-carboxylate Openeye Name: [2-[4-[(3,5-dimethyl-1-piperidyl)sulfonyl]anilino]-2-oxo-ethyl] 1-methylpyrazole-4-carboxylate CAS Name: 1-methyl-4-pyrazolecarboxylic 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] 1-methylpyrazole-4-carboxylate Traditional Name: 1-methylpyrazole-4-carboxylic acid [2-[4-(3,5-dimethylpiperidino)sulfonylanilino]-2-keto-ethyl] ester Formula: C20H26N4O5S MolecularWeight: 434.50924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O5S/c1-14-8-15(2)11-24(10-14)30(27,28)18-6-4-17(5-7-18)22-19(25)13-29-20(26)16-9-21-23(3)12-16/h4-7,9,12,14-15H,8,10-11,13H2,1-3H3,(H,22,25)