[2-oxidanylidene-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: [2-oxidanylidene-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Openeye Name: [2-[(2-isopropylpyrazol-3-yl)amino]-2-oxo-ethyl] 4-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]benzoic acid [2-oxo-2-[(2-propan-2-yl-3-pyrazolyl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-(3,5-dimethylpiperidino)sulfonylbenzoic acid [2-[(2-isopropylpyrazol-3-yl)amino]-2-keto-ethyl] ester Formula: C22H30N4O5S MolecularWeight: 462.5624

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC=NN3C(C)C)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC=NN3C(C)C)C

InChI

InChI=1S/C22H30N4O5S/c1-15(2)26-20(9-10-23-26)24-21(27)14-31-22(28)18-5-7-19(8-6-18)32(29,30)25-12-16(3)11-17(4)13-25/h5-10,15-17H,11-14H2,1-4H3,(H,24,27)