methyl 3-nitro-5-[[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]carbamoyl]benzoate

Systemtic Name: methyl 3-nitro-5-[[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]carbamoyl]benzoate Openeye Name: methyl 3-nitro-5-[[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]carbamoyl]benzoate CAS Name: 3-nitro-5-[oxo-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)anilino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-[[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]carbamoyl]benzoate Traditional Name: 3-nitro-5-[[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]carbamoyl]benzoic acid methyl ester Formula: C21H22N4O7S MolecularWeight: 474.48698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O7S/c1-32-21(27)15-11-14(12-17(13-15)25(28)29)20(26)23-16-6-8-18(9-7-16)33(30,31)24-19-5-3-2-4-10-22-19/h6-9,11-13H,2-5,10H2,1H3,(H,22,24)(H,23,26)