ethyl 4-[(2S)-2-[3-methyl-4-[(1-methylsulfonylpiperidin-4-yl)carbonylamino]pyrazol-1-yl]propanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(2S)-2-[3-methyl-4-[(1-methylsulfonylpiperidin-4-yl)carbonylamino]pyrazol-1-yl]propanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(2S)-2-[3-methyl-4-[(1-methylsulfonylpiperidine-4-carbonyl)amino]pyrazol-1-yl]propanoyl]piperazine-1-carboxylate CAS Name: 4-[(2S)-2-[3-methyl-4-[[(1-methylsulfonyl-4-piperidinyl)-oxomethyl]amino]-1-pyrazolyl]-1-oxopropyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2S)-2-[3-methyl-4-[(1-methylsulfonylpiperidine-4-carbonyl)amino]pyrazol-1-yl]propanoyl]piperazine-1-carboxylate Traditional Name: 4-[(2S)-2-[4-[(1-mesylisonipecotoyl)amino]-3-methyl-pyrazol-1-yl]propanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H34N6O6S MolecularWeight: 498.59626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C(C)N2C=C(C(=N2)C)NC(=O)C3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)[C@H](C)N2C=C(C(=N2)C)NC(=O)C3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C21H34N6O6S/c1-5-33-21(30)25-12-10-24(11-13-25)20(29)16(3)27-14-18(15(2)23-27)22-19(28)17-6-8-26(9-7-17)34(4,31)32/h14,16-17H,5-13H2,1-4H3,(H,22,28)/t16-/m0/s1