azepan-1-yl-[2-(2-nitrophenyl)sulfonylphenyl]methanone

Systemtic Name: azepan-1-yl-[2-(2-nitrophenyl)sulfonylphenyl]methanone Openeye Name: azepan-1-yl-[2-(2-nitrophenyl)sulfonylphenyl]methanone CAS Name: 1-azepanyl-[2-(2-nitrophenyl)sulfonylphenyl]methanone IUPAC Name: azepan-1-yl-[2-(2-nitrophenyl)sulfonylphenyl]methanone Traditional Name: azepan-1-yl-[2-(2-nitrophenyl)sulfonylphenyl]methanone Formula: C19H20N2O5S MolecularWeight: 388.4375

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=CC=C2S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=CC=C2S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O5S/c22-19(20-13-7-1-2-8-14-20)15-9-3-5-11-17(15)27(25,26)18-12-6-4-10-16(18)21(23)24/h3-6,9-12H,1-2,7-8,13-14H2