N-[2-(2-cyanoethylsulfanyl)phenyl]-4-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-[2-(2-cyanoethylsulfanyl)phenyl]-4-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[2-(2-cyanoethylsulfanyl)phenyl]-4-morpholinosulfonyl-benzamide CAS Name: N-[2-(2-cyanoethylthio)phenyl]-4-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[2-(2-cyanoethylsulfanyl)phenyl]-4-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[2-(2-cyanoethylthio)phenyl]-4-morpholinosulfonyl-benzamide Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3SCCC#N

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3SCCC#N

InChI

InChI=1S/C20H21N3O4S2/c21-10-3-15-28-19-5-2-1-4-18(19)22-20(24)16-6-8-17(9-7-16)29(25,26)23-11-13-27-14-12-23/h1-2,4-9H,3,11-15H2,(H,22,24)