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2-(4-sulfamoylphenoxy)ethyl 4-(azepan-1-yl)-3-nitro-benzoate

2-(4-sulfamoylphenoxy)ethyl 4-(azepan-1-yl)-3-nitro-benzoate

Systemtic Name:2-(4-sulfamoylphenoxy)ethyl 4-(azepan-1-yl)-3-nitro-benzoate
Openeye Name:2-(4-sulfamoylphenoxy)ethyl 4-(azepan-1-yl)-3-nitro-benzoate
CAS Name:4-(1-azepanyl)-3-nitrobenzoic acid 2-(4-sulfamoylphenoxy)ethyl ester
IUPAC Name:2-(4-sulfamoylphenoxy)ethyl 4-(azepan-1-yl)-3-nitrobenzoate
Traditional Name:4-(azepan-1-yl)-3-nitro-benzoic acid 2-(4-sulfamoylphenoxy)ethyl ester
Formula: C21H25N3O7S
MolecularWeight: 463.5041
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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)OCCOC3=CC=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]


Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)OCCOC3=CC=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]


InChI

InChI=1S/C21H25N3O7S/c22-32(28,29)18-8-6-17(7-9-18)30-13-14-31-21(25)16-5-10-19(20(15-16)24(26)27)23-11-3-1-2-4-12-23/h5-10,15H,1-4,11-14H2,(H2,22,28,29)


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