(2R)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: (2R)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide Openeye Name: (2R)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(1-piperidylsulfonyl)phenyl]propanamide CAS Name: (2R)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]-N-[4-(1-piperidinylsulfonyl)phenyl]propanamide IUPAC Name: (2R)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide Traditional Name: (2R)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]-N-(4-piperidinosulfonylphenyl)propionamide Formula: C18H25N5O3S2 MolecularWeight: 423.5528

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NN1)SC(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCC1=NC(=NN1)S[C@H](C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C18H25N5O3S2/c1-3-16-20-18(22-21-16)27-13(2)17(24)19-14-7-9-15(10-8-14)28(25,26)23-11-5-4-6-12-23/h7-10,13H,3-6,11-12H2,1-2H3,(H,19,24)(H,20,21,22)/t13-/m1/s1