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

Systemtic Name: 4-ethoxy-3-nitro-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide Openeye Name: 4-ethoxy-3-nitro-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide CAS Name: 4-ethoxy-3-nitro-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide IUPAC Name: 4-ethoxy-3-nitro-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide Traditional Name: 4-ethoxy-3-nitro-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide Formula: C21H24N4O6S MolecularWeight: 460.50346

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O6S/c1-2-31-19-12-7-15(14-18(19)25(27)28)21(26)23-16-8-10-17(11-9-16)32(29,30)24-20-6-4-3-5-13-22-20/h7-12,14H,2-6,13H2,1H3,(H,22,24)(H,23,26)