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

Systemtic Name: 2-[[4-cyclopentyl-5-(3-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-ethanamide Openeye Name: 2-[[4-cyclopentyl-5-(3-morpholinosulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-acetamide CAS Name: 2-[[4-cyclopentyl-5-[3-(4-morpholinylsulfonyl)phenyl]-1,2,4-triazol-3-yl]thio]-N-propylacetamide IUPAC Name: 2-[[4-cyclopentyl-5-(3-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propylacetamide Traditional Name: 2-[[4-cyclopentyl-5-(3-morpholinosulfonylphenyl)-1,2,4-triazol-3-yl]thio]-N-propyl-acetamide Formula: C22H31N5O4S2 MolecularWeight: 493.64264

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CSC1=NN=C(N1C2CCCC2)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CCCNC(=O)CSC1=NN=C(N1C2CCCC2)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H31N5O4S2/c1-2-10-23-20(28)16-32-22-25-24-21(27(22)18-7-3-4-8-18)17-6-5-9-19(15-17)33(29,30)26-11-13-31-14-12-26/h5-6,9,15,18H,2-4,7-8,10-14,16H2,1H3,(H,23,28)