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

Systemtic Name: 2-[[4-cycloheptyl-5-(3-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-cycloheptyl-5-(3-morpholinosulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[4-cycloheptyl-5-[3-(4-morpholinylsulfonyl)phenyl]-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[4-cycloheptyl-5-(3-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-cycloheptyl-5-(3-morpholinosulfonylphenyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H29N5O4S2 MolecularWeight: 479.61606

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)N2C(=NN=C2SCC(=O)N)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C1CCCC(CC1)N2C(=NN=C2SCC(=O)N)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H29N5O4S2/c22-19(27)15-31-21-24-23-20(26(21)17-7-3-1-2-4-8-17)16-6-5-9-18(14-16)32(28,29)25-10-12-30-13-11-25/h5-6,9,14,17H,1-4,7-8,10-13,15H2,(H2,22,27)