(2S)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

Systemtic Name: (2S)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide Openeye Name: (2S)-2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide CAS Name: (2S)-2-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]-N-(1,3,5-trimethyl-4-pyrazolyl)propanamide IUPAC Name: (2S)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide Traditional Name: (2S)-2-[(5-piperidinosulfonyl-2-pyridyl)thio]-N-(1,3,5-trimethylpyrazol-4-yl)propionamide Formula: C19H27N5O3S2 MolecularWeight: 437.57938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=O)C(C)SC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=O)[C@H](C)SC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C19H27N5O3S2/c1-13-18(14(2)23(4)22-13)21-19(25)15(3)28-17-9-8-16(12-20-17)29(26,27)24-10-6-5-7-11-24/h8-9,12,15H,5-7,10-11H2,1-4H3,(H,21,25)/t15-/m0/s1