2-[[4-cycloheptyl-5-(3-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide

Systemtic Name: 2-[[4-cycloheptyl-5-(3-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[[4-cycloheptyl-5-(3-morpholinosulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[4-cycloheptyl-5-[3-(4-morpholinylsulfonyl)phenyl]-1,2,4-triazol-3-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[[4-cycloheptyl-5-(3-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylacetamide Traditional Name: 2-[[4-cycloheptyl-5-(3-morpholinosulfonylphenyl)-1,2,4-triazol-3-yl]thio]-N-phenethyl-acetamide Formula: C29H37N5O4S2 MolecularWeight: 583.76518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)N2C(=NN=C2SCC(=O)NCCC3=CC=CC=C3)C4=CC(=CC=C4)S(=O)(=O)N5CCOCC5

Isomeric SMILES

C1CCCC(CC1)N2C(=NN=C2SCC(=O)NCCC3=CC=CC=C3)C4=CC(=CC=C4)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C29H37N5O4S2/c35-27(30-16-15-23-9-4-3-5-10-23)22-39-29-32-31-28(34(29)25-12-6-1-2-7-13-25)24-11-8-14-26(21-24)40(36,37)33-17-19-38-20-18-33/h3-5,8-11,14,21,25H,1-2,6-7,12-13,15-20,22H2,(H,30,35)