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

Systemtic Name: 4-(azepan-1-yl)-3-nitro-N-(4-sulfamoylphenyl)benzamide Openeye Name: 4-(azepan-1-yl)-3-nitro-N-(4-sulfamoylphenyl)benzamide CAS Name: 4-(1-azepanyl)-3-nitro-N-(4-sulfamoylphenyl)benzamide IUPAC Name: 4-(azepan-1-yl)-3-nitro-N-(4-sulfamoylphenyl)benzamide Traditional Name: 4-(azepan-1-yl)-3-nitro-N-(4-sulfamoylphenyl)benzamide Formula: C19H22N4O5S MolecularWeight: 418.46678

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O5S/c20-29(27,28)16-8-6-15(7-9-16)21-19(24)14-5-10-17(18(13-14)23(25)26)22-11-3-1-2-4-12-22/h5-10,13H,1-4,11-12H2,(H,21,24)(H2,20,27,28)