methyl 3-[[4-(butan-2-ylsulfamoyl)phenyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[4-(butan-2-ylsulfamoyl)phenyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-nitro-5-[[4-(sec-butylsulfamoyl)phenyl]carbamoyl]benzoate CAS Name: 3-[[4-(butan-2-ylsulfamoyl)anilino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[4-(butan-2-ylsulfamoyl)phenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-nitro-5-[[4-(sec-butylsulfamoyl)phenyl]carbamoyl]benzoic acid methyl ester Formula: C19H21N3O7S MolecularWeight: 435.45094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(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/c1-4-12(2)21-30(27,28)17-7-5-15(6-8-17)20-18(23)13-9-14(19(24)29-3)11-16(10-13)22(25)26/h5-12,21H,4H2,1-3H3,(H,20,23)