5-(azepan-1-ylsulfonyl)-2-chloranyl-N-[4-(cyanomethyl)phenyl]benzamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-2-chloranyl-N-[4-(cyanomethyl)phenyl]benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-[4-(cyanomethyl)phenyl]benzamide CAS Name: 5-(1-azepanylsulfonyl)-2-chloro-N-[4-(cyanomethyl)phenyl]benzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-[4-(cyanomethyl)phenyl]benzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-[4-(cyanomethyl)phenyl]benzamide Formula: C21H22ClN3O3S MolecularWeight: 431.93568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)CC#N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)CC#N

InChI

InChI=1S/C21H22ClN3O3S/c22-20-10-9-18(29(27,28)25-13-3-1-2-4-14-25)15-19(20)21(26)24-17-7-5-16(6-8-17)11-12-23/h5-10,15H,1-4,11,13-14H2,(H,24,26)