N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(3-nitrophenoxy)ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(3-nitrophenoxy)ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(3-nitrophenoxy)acetamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-2-(3-nitrophenoxy)acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(3-nitrophenoxy)acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(3-nitrophenoxy)acetamide Formula: C20H23N3O6S MolecularWeight: 433.47812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O6S/c24-20(15-29-18-9-6-8-17(14-18)23(25)26)21-16-7-5-10-19(13-16)30(27,28)22-11-3-1-2-4-12-22/h5-10,13-14H,1-4,11-12,15H2,(H,21,24)