ethyl 3-[[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]carbonylamino]benzoate

Systemtic Name: ethyl 3-[[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]carbonylamino]benzoate Openeye Name: ethyl 3-[[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-3-carbonyl]amino]benzoate CAS Name: 3-[[oxo-[1-[(1,3,5-trimethyl-4-pyrazolyl)sulfonyl]-3-piperidinyl]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-3-carbonyl]amino]benzoate Traditional Name: 3-[[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylnipecotoyl]amino]benzoic acid ethyl ester Formula: C21H28N4O5S MolecularWeight: 448.53582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=C(N(N=C3C)C)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=C(N(N=C3C)C)C

InChI

InChI=1S/C21H28N4O5S/c1-5-30-21(27)16-8-6-10-18(12-16)22-20(26)17-9-7-11-25(13-17)31(28,29)19-14(2)23-24(4)15(19)3/h6,8,10,12,17H,5,7,9,11,13H2,1-4H3,(H,22,26)