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

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

Systemtic Name:4-(azepan-1-yl)-3-nitro-N-[(3-sulfamoylphenyl)methyl]benzamide
Openeye Name:4-(azepan-1-yl)-3-nitro-N-[(3-sulfamoylphenyl)methyl]benzamide
CAS Name:4-(1-azepanyl)-3-nitro-N-[(3-sulfamoylphenyl)methyl]benzamide
IUPAC Name:4-(azepan-1-yl)-3-nitro-N-[(3-sulfamoylphenyl)methyl]benzamide
Traditional Name:4-(azepan-1-yl)-3-nitro-N-(3-sulfamoylbenzyl)benzamide
Formula: C20H24N4O5S
MolecularWeight: 432.49336
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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NCC3=CC(=CC=C3)S(=O)(=O)N)[N+](=O)[O-]


Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NCC3=CC(=CC=C3)S(=O)(=O)N)[N+](=O)[O-]


InChI

InChI=1S/C20H24N4O5S/c21-30(28,29)17-7-5-6-15(12-17)14-22-20(25)16-8-9-18(19(13-16)24(26)27)23-10-3-1-2-4-11-23/h5-9,12-13H,1-4,10-11,14H2,(H,22,25)(H2,21,28,29)


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