2-nitro-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide

Systemtic Name: 2-nitro-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide Openeye Name: 2-nitro-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide CAS Name: 2-nitro-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide IUPAC Name: 2-nitro-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide Traditional Name: 2-nitro-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide Formula: C19H20N4O5S MolecularWeight: 416.4509

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CCC(=NCC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O5S/c24-19(16-6-3-4-7-17(16)23(25)26)21-14-9-11-15(12-10-14)29(27,28)22-18-8-2-1-5-13-20-18/h3-4,6-7,9-12H,1-2,5,8,13H2,(H,20,22)(H,21,24)