4-chloranyl-2-(cyclohexylamino)-5-(ethylsulfamoyl)-3-nitro-benzoic acid

Systemtic Name: 4-chloranyl-2-(cyclohexylamino)-5-(ethylsulfamoyl)-3-nitro-benzoic acid Openeye Name: 4-chloro-2-(cyclohexylamino)-5-(ethylsulfamoyl)-3-nitro-benzoic acid CAS Name: 4-chloro-2-(cyclohexylamino)-5-(ethylsulfamoyl)-3-nitrobenzoic acid IUPAC Name: 4-chloro-2-(cyclohexylamino)-5-(ethylsulfamoyl)-3-nitrobenzoic acid Traditional Name: 4-chloro-2-(cyclohexylamino)-5-(ethylsulfamoyl)-3-nitro-benzoic acid Formula: C15H20ClN3O6S MolecularWeight: 405.8538

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Descriptors Computed from Structure

Canonical SMILES:

CCNS(=O)(=O)C1=C(C(=C(C(=C1)C(=O)O)NC2CCCCC2)[N+](=O)[O-])Cl

Isomeric SMILES

CCNS(=O)(=O)C1=C(C(=C(C(=C1)C(=O)O)NC2CCCCC2)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H20ClN3O6S/c1-2-17-26(24,25)11-8-10(15(20)21)13(14(12(11)16)19(22)23)18-9-6-4-3-5-7-9/h8-9,17-18H,2-7H2,1H3,(H,20,21)