methyl 3-[[4-(hexylsulfamoyl)phenyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[4-(hexylsulfamoyl)phenyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[4-(hexylsulfamoyl)phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[4-(hexylsulfamoyl)anilino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[4-(hexylsulfamoyl)phenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[4-(hexylsulfamoyl)phenyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C21H25N3O7S MolecularWeight: 463.5041

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCCCCCNS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C21H25N3O7S/c1-3-4-5-6-11-22-32(29,30)19-9-7-17(8-10-19)23-20(25)15-12-16(21(26)31-2)14-18(13-15)24(27)28/h7-10,12-14,22H,3-6,11H2,1-2H3,(H,23,25)