methyl 2-[2-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonyl-pyrazol-1-yl]ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonyl-pyrazol-1-yl]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[3,5-dimethyl-4-[(4-methyl-1-piperidyl)sulfonyl]pyrazol-1-yl]acetyl]amino]benzoate CAS Name: 2-[[2-[3,5-dimethyl-4-[(4-methyl-1-piperidinyl)sulfonyl]-1-pyrazolyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]acetyl]amino]benzoate Traditional Name: 2-[[2-[3,5-dimethyl-4-(4-methylpiperidino)sulfonyl-pyrazol-1-yl]acetyl]amino]benzoic acid methyl ester Formula: C21H28N4O5S MolecularWeight: 448.53582

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=C(N(N=C2C)CC(=O)NC3=CC=CC=C3C(=O)OC)C

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=C(N(N=C2C)CC(=O)NC3=CC=CC=C3C(=O)OC)C

InChI

InChI=1S/C21H28N4O5S/c1-14-9-11-24(12-10-14)31(28,29)20-15(2)23-25(16(20)3)13-19(26)22-18-8-6-5-7-17(18)21(27)30-4/h5-8,14H,9-13H2,1-4H3,(H,22,26)