N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-nitrophenyl)ethanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-nitrophenyl)ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-nitrophenyl)acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-(4-nitrophenyl)acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-nitrophenyl)acetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-nitrophenyl)acetamide Formula: C20H23N3O5S MolecularWeight: 417.47872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O5S/c24-20(15-16-5-9-18(10-6-16)23(25)26)21-17-7-11-19(12-8-17)29(27,28)22-13-3-1-2-4-14-22/h5-12H,1-4,13-15H2,(H,21,24)