N-(5-chloranyl-2-cyano-phenyl)-2-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(5-chloranyl-2-cyano-phenyl)-2-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]ethanamide Openeye Name: N-(5-chloro-2-cyano-phenyl)-2-[(5-morpholinosulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide CAS Name: N-(5-chloro-2-cyanophenyl)-2-[[5-(4-morpholinylsulfonyl)-1,3-benzoxazol-2-yl]thio]acetamide IUPAC Name: N-(5-chloro-2-cyanophenyl)-2-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide Traditional Name: N-(5-chloro-2-cyano-phenyl)-2-[(5-morpholinosulfonyl-1,3-benzoxazol-2-yl)thio]acetamide Formula: C20H17ClN4O5S2 MolecularWeight: 492.95578

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)OC(=N3)SCC(=O)NC4=C(C=CC(=C4)Cl)C#N

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)OC(=N3)SCC(=O)NC4=C(C=CC(=C4)Cl)C#N

InChI

InChI=1S/C20H17ClN4O5S2/c21-14-2-1-13(11-22)16(9-14)23-19(26)12-31-20-24-17-10-15(3-4-18(17)30-20)32(27,28)25-5-7-29-8-6-25/h1-4,9-10H,5-8,12H2,(H,23,26)