4-(azepan-1-ylsulfonyl)-N-[2-(2-cyanoethylsulfanyl)phenyl]benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[2-(2-cyanoethylsulfanyl)phenyl]benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[2-(2-cyanoethylsulfanyl)phenyl]benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-[2-(2-cyanoethylthio)phenyl]benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[2-(2-cyanoethylsulfanyl)phenyl]benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-[2-(2-cyanoethylthio)phenyl]benzamide Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3SCCC#N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3SCCC#N

InChI

InChI=1S/C22H25N3O3S2/c23-14-7-17-29-21-9-4-3-8-20(21)24-22(26)18-10-12-19(13-11-18)30(27,28)25-15-5-1-2-6-16-25/h3-4,8-13H,1-2,5-7,15-17H2,(H,24,26)