N-(4-methyl-3-sulfamoyl-phenyl)-3-nitro-benzamide

Systemtic Name: N-(4-methyl-3-sulfamoyl-phenyl)-3-nitro-benzamide Openeye Name: N-(4-methyl-3-sulfamoyl-phenyl)-3-nitro-benzamide CAS Name: N-(4-methyl-3-sulfamoylphenyl)-3-nitrobenzamide IUPAC Name: N-(4-methyl-3-sulfamoylphenyl)-3-nitrobenzamide Traditional Name: N-(4-methyl-3-sulfamoyl-phenyl)-3-nitro-benzamide Formula: C14H13N3O5S MolecularWeight: 335.33512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)N

InChI

InChI=1S/C14H13N3O5S/c1-9-5-6-11(8-13(9)23(15,21)22)16-14(18)10-3-2-4-12(7-10)17(19)20/h2-8H,1H3,(H,16,18)(H2,15,21,22)