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

Systemtic Name: 2-[[4-cyclopentyl-5-(3-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-ethanamide Openeye Name: 2-[[4-cyclopentyl-5-(3-morpholinosulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-acetamide CAS Name: 2-[[4-cyclopentyl-5-[3-(4-morpholinylsulfonyl)phenyl]-1,2,4-triazol-3-yl]thio]-N-cyclopropylacetamide IUPAC Name: 2-[[4-cyclopentyl-5-(3-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropylacetamide Traditional Name: 2-[[4-cyclopentyl-5-(3-morpholinosulfonylphenyl)-1,2,4-triazol-3-yl]thio]-N-cyclopropyl-acetamide Formula: C22H29N5O4S2 MolecularWeight: 491.62676

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=NN=C2SCC(=O)NC3CC3)C4=CC(=CC=C4)S(=O)(=O)N5CCOCC5

Isomeric SMILES

C1CCC(C1)N2C(=NN=C2SCC(=O)NC3CC3)C4=CC(=CC=C4)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C22H29N5O4S2/c28-20(23-17-8-9-17)15-32-22-25-24-21(27(22)18-5-1-2-6-18)16-4-3-7-19(14-16)33(29,30)26-10-12-31-13-11-26/h3-4,7,14,17-18H,1-2,5-6,8-13,15H2,(H,23,28)