4-(azepan-1-yl)-N-(3-methylsulfonylphenyl)-3-nitro-benzamide

Systemtic Name: 4-(azepan-1-yl)-N-(3-methylsulfonylphenyl)-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-(3-methylsulfonylphenyl)-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-(3-methylsulfonylphenyl)-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-(3-methylsulfonylphenyl)-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-(3-mesylphenyl)-3-nitro-benzamide Formula: C20H23N3O5S MolecularWeight: 417.47872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O5S/c1-29(27,28)17-8-6-7-16(14-17)21-20(24)15-9-10-18(19(13-15)23(25)26)22-11-4-2-3-5-12-22/h6-10,13-14H,2-5,11-12H2,1H3,(H,21,24)