ethyl 3-[[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]carbonylamino]benzoate

Systemtic Name: ethyl 3-[[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]carbonylamino]benzoate Openeye Name: ethyl 3-[[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carbonyl]amino]benzoate CAS Name: 3-[[[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-piperidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carbonyl]amino]benzoate Traditional Name: 3-[[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]nipecotoyl]amino]benzoic acid ethyl ester Formula: C20H26N4O5S MolecularWeight: 434.50924

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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(NN=C3C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O5S/c1-4-29-20(26)15-7-5-9-17(11-15)21-19(25)16-8-6-10-24(12-16)30(27,28)18-13(2)22-23-14(18)3/h5,7,9,11,16H,4,6,8,10,12H2,1-3H3,(H,21,25)(H,22,23)