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

Systemtic Name: methyl 3-[[4-(tert-butylsulfamoyl)phenyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[4-(tert-butylsulfamoyl)phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[4-(tert-butylsulfamoyl)anilino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[4-(tert-butylsulfamoyl)phenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[4-(tert-butylsulfamoyl)phenyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C19H21N3O7S MolecularWeight: 435.45094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O7S/c1-19(2,3)21-30(27,28)16-7-5-14(6-8-16)20-17(23)12-9-13(18(24)29-4)11-15(10-12)22(25)26/h5-11,21H,1-4H3,(H,20,23)