N-(3-piperidin-1-ylsulfonylphenyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(3-piperidin-1-ylsulfonylphenyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-isopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: N-[3-(1-piperidinylsulfonyl)phenyl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(3-piperidin-1-ylsulfonylphenyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-isopropyl-1,2,4-triazol-3-yl)thio]-N-(3-piperidinosulfonylphenyl)acetamide Formula: C18H25N5O3S2 MolecularWeight: 423.5528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NN=C1SCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC(C)N1C=NN=C1SCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C18H25N5O3S2/c1-14(2)23-13-19-21-18(23)27-12-17(24)20-15-7-6-8-16(11-15)28(25,26)22-9-4-3-5-10-22/h6-8,11,13-14H,3-5,9-10,12H2,1-2H3,(H,20,24)