N-[3-methyl-4-[(3-methylsulfonylphenyl)carbonylamino]phenyl]-2-nitro-benzamide

Systemtic Name: N-[3-methyl-4-[(3-methylsulfonylphenyl)carbonylamino]phenyl]-2-nitro-benzamide Openeye Name: N-[3-methyl-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-2-nitro-benzamide CAS Name: N-[3-methyl-4-[[(3-methylsulfonylphenyl)-oxomethyl]amino]phenyl]-2-nitrobenzamide IUPAC Name: N-[3-methyl-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-2-nitrobenzamide Traditional Name: N-[4-[(3-mesylbenzoyl)amino]-3-methyl-phenyl]-2-nitro-benzamide Formula: C22H19N3O6S MolecularWeight: 453.46776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=CC=CC=C2[N+](=O)[O-])NC(=O)C3=CC(=CC=C3)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=CC=CC=C2[N+](=O)[O-])NC(=O)C3=CC(=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C22H19N3O6S/c1-14-12-16(23-22(27)18-8-3-4-9-20(18)25(28)29)10-11-19(14)24-21(26)15-6-5-7-17(13-15)32(2,30)31/h3-13H,1-2H3,(H,23,27)(H,24,26)