ethyl 2-[[4-phenyl-5-(3-piperidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[4-phenyl-5-(3-piperidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[4-phenyl-5-[3-(1-piperidylsulfonyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-phenyl-5-[3-(1-piperidinylsulfonyl)phenyl]-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[4-phenyl-5-(3-piperidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-phenyl-5-(3-piperidinosulfonylphenyl)-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C23H26N4O4S2 MolecularWeight: 486.60694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC(=CC=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CCOC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC(=CC=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C23H26N4O4S2/c1-2-31-21(28)17-32-23-25-24-22(27(23)19-11-5-3-6-12-19)18-10-9-13-20(16-18)33(29,30)26-14-7-4-8-15-26/h3,5-6,9-13,16H,2,4,7-8,14-15,17H2,1H3