N-[3-(azepan-1-ylsulfonyl)phenyl]-4-cyano-benzamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-cyano-benzamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-cyano-benzamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-4-cyanobenzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-cyanobenzamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-cyano-benzamide Formula: C20H21N3O3S MolecularWeight: 383.46404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O3S/c21-15-16-8-10-17(11-9-16)20(24)22-18-6-5-7-19(14-18)27(25,26)23-12-3-1-2-4-13-23/h5-11,14H,1-4,12-13H2,(H,22,24)