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

Systemtic Name: N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-isopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-morpholinosulfonyl-2-pyrrolidin-1-yl-phenyl)acetamide CAS Name: N-[5-(4-morpholinylsulfonyl)-2-(1-pyrrolidinyl)phenyl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-isopropyl-1,2,4-triazol-3-yl)thio]-N-(5-morpholinosulfonyl-2-pyrrolidino-phenyl)acetamide Formula: C21H30N6O4S2 MolecularWeight: 494.6307

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NN=C1SCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4

Isomeric SMILES

CC(C)N1C=NN=C1SCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4

InChI

InChI=1S/C21H30N6O4S2/c1-16(2)27-15-22-24-21(27)32-14-20(28)23-18-13-17(5-6-19(18)25-7-3-4-8-25)33(29,30)26-9-11-31-12-10-26/h5-6,13,15-16H,3-4,7-12,14H2,1-2H3,(H,23,28)