ethyl (3S)-1-[[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonyl-pyrazol-1-yl]methyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonyl-pyrazol-1-yl]methyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[[3,5-dimethyl-4-[(4-methyl-1-piperidyl)sulfonyl]pyrazol-1-yl]methyl]piperidine-3-carboxylate CAS Name: (3S)-1-[[3,5-dimethyl-4-[(4-methyl-1-piperidinyl)sulfonyl]-1-pyrazolyl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]methyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[[3,5-dimethyl-4-(4-methylpiperidino)sulfonyl-pyrazol-1-yl]methyl]nipecotic acid ethyl ester Formula: C20H34N4O4S MolecularWeight: 426.57336

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CN2C(=C(C(=N2)C)S(=O)(=O)N3CCC(CC3)C)C

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)CN2C(=C(C(=N2)C)S(=O)(=O)N3CCC(CC3)C)C

InChI

InChI=1S/C20H34N4O4S/c1-5-28-20(25)18-7-6-10-22(13-18)14-24-17(4)19(16(3)21-24)29(26,27)23-11-8-15(2)9-12-23/h15,18H,5-14H2,1-4H3/t18-/m0/s1