2-[(4-cyanophenyl)methylsulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)benzamide

Systemtic Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)benzamide Openeye Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-(3-morpholinosulfonylphenyl)benzamide CAS Name: 2-[(4-cyanophenyl)methylthio]-N-[3-(4-morpholinylsulfonyl)phenyl]benzamide IUPAC Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)benzamide Traditional Name: 2-[(4-cyanobenzyl)thio]-N-(3-morpholinosulfonylphenyl)benzamide Formula: C25H23N3O4S2 MolecularWeight: 493.59782

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC=CC=C3SCC4=CC=C(C=C4)C#N

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC=CC=C3SCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H23N3O4S2/c26-17-19-8-10-20(11-9-19)18-33-24-7-2-1-6-23(24)25(29)27-21-4-3-5-22(16-21)34(30,31)28-12-14-32-15-13-28/h1-11,16H,12-15,18H2,(H,27,29)