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

Systemtic Name: 2-[[4-cycloheptyl-5-(3-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-ethanamide Openeye Name: 2-[[4-cycloheptyl-5-(3-morpholinosulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-acetamide CAS Name: 2-[[4-cycloheptyl-5-[3-(4-morpholinylsulfonyl)phenyl]-1,2,4-triazol-3-yl]thio]-N-cyclohexylacetamide IUPAC Name: 2-[[4-cycloheptyl-5-(3-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylacetamide Traditional Name: 2-[[4-cycloheptyl-5-(3-morpholinosulfonylphenyl)-1,2,4-triazol-3-yl]thio]-N-cyclohexyl-acetamide Formula: C27H39N5O4S2 MolecularWeight: 561.75966

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)N2C(=NN=C2SCC(=O)NC3CCCCC3)C4=CC(=CC=C4)S(=O)(=O)N5CCOCC5

Isomeric SMILES

C1CCCC(CC1)N2C(=NN=C2SCC(=O)NC3CCCCC3)C4=CC(=CC=C4)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C27H39N5O4S2/c33-25(28-22-10-4-3-5-11-22)20-37-27-30-29-26(32(27)23-12-6-1-2-7-13-23)21-9-8-14-24(19-21)38(34,35)31-15-17-36-18-16-31/h8-9,14,19,22-23H,1-7,10-13,15-18,20H2,(H,28,33)