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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O7S/c1-3-4-9-20-30(27,28)17-7-5-15(6-8-17)21-18(23)13-10-14(19(24)29-2)12-16(11-13)22(25)26/h5-8,10-12,20H,3-4,9H2,1-2H3,(H,21,23)