2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)ethanamide

Systemtic Name: 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)ethanamide Openeye Name: 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-morpholinosulfonyl-2-pyrrolidin-1-yl-phenyl)acetamide CAS Name: 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-[5-(4-morpholinylsulfonyl)-2-(1-pyrrolidinyl)phenyl]acetamide IUPAC Name: 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide Traditional Name: 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(5-morpholinosulfonyl-2-pyrrolidino-phenyl)acetamide Formula: C21H28N6O4S2 MolecularWeight: 492.61482

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)CSC4=NN=CN4C5CC5

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)CSC4=NN=CN4C5CC5

InChI

InChI=1S/C21H28N6O4S2/c28-20(14-32-21-24-22-15-27(21)16-3-4-16)23-18-13-17(5-6-19(18)25-7-1-2-8-25)33(29,30)26-9-11-31-12-10-26/h5-6,13,15-16H,1-4,7-12,14H2,(H,23,28)