2-[(4-cyanophenyl)methylsulfanyl]-N-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-(4-methoxy-3-morpholinosulfonyl-phenyl)acetamide CAS Name: 2-[(4-cyanophenyl)methylthio]-N-[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide Traditional Name: 2-[(4-cyanobenzyl)thio]-N-(4-methoxy-3-morpholinosulfonyl-phenyl)acetamide Formula: C21H23N3O5S2 MolecularWeight: 461.55442

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSCC2=CC=C(C=C2)C#N)S(=O)(=O)N3CCOCC3

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSCC2=CC=C(C=C2)C#N)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H23N3O5S2/c1-28-19-7-6-18(12-20(19)31(26,27)24-8-10-29-11-9-24)23-21(25)15-30-14-17-4-2-16(13-22)3-5-17/h2-7,12H,8-11,14-15H2,1H3,(H,23,25)