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

Systemtic Name: 2-[[4-cycloheptyl-5-(3-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-N-methyl-propanamide Openeye Name: 2-[[4-cycloheptyl-5-(3-morpholinosulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-N-methyl-propanamide CAS Name: 2-[[4-cycloheptyl-5-[3-(4-morpholinylsulfonyl)phenyl]-1,2,4-triazol-3-yl]thio]-N-cyclohexyl-N-methylpropanamide IUPAC Name: 2-[[4-cycloheptyl-5-(3-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-N-methylpropanamide Traditional Name: 2-[[4-cycloheptyl-5-(3-morpholinosulfonylphenyl)-1,2,4-triazol-3-yl]thio]-N-cyclohexyl-N-methyl-propionamide Formula: C29H43N5O4S2 MolecularWeight: 589.81282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1CCCCC1)SC2=NN=C(N2C3CCCCCC3)C4=CC(=CC=C4)S(=O)(=O)N5CCOCC5

Isomeric SMILES

CC(C(=O)N(C)C1CCCCC1)SC2=NN=C(N2C3CCCCCC3)C4=CC(=CC=C4)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C29H43N5O4S2/c1-22(28(35)32(2)24-12-8-5-9-13-24)39-29-31-30-27(34(29)25-14-6-3-4-7-15-25)23-11-10-16-26(21-23)40(36,37)33-17-19-38-20-18-33/h10-11,16,21-22,24-25H,3-9,12-15,17-20H2,1-2H3