4-(azepan-1-yl)-N-(2-methylsulfonylphenyl)-3-nitro-benzamide

Systemtic Name: 4-(azepan-1-yl)-N-(2-methylsulfonylphenyl)-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-(2-methylsulfonylphenyl)-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-(2-methylsulfonylphenyl)-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-(2-methylsulfonylphenyl)-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-(2-mesylphenyl)-3-nitro-benzamide Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O5S/c1-29(27,28)19-9-5-4-8-16(19)21-20(24)15-10-11-17(18(14-15)23(25)26)22-12-6-2-3-7-13-22/h4-5,8-11,14H,2-3,6-7,12-13H2,1H3,(H,21,24)