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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NN=C(N2C3CC3)SCC(=O)NC4=CC=C(C=C4)S(=O)(=O)N5CCOCC5

Isomeric SMILES

C1CCN(C1)C2=NN=C(N2C3CC3)SCC(=O)NC4=CC=C(C=C4)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C21H28N6O4S2/c28-19(15-32-21-24-23-20(25-9-1-2-10-25)27(21)17-5-6-17)22-16-3-7-18(8-4-16)33(29,30)26-11-13-31-14-12-26/h3-4,7-8,17H,1-2,5-6,9-15H2,(H,22,28)