N-(2-methoxy-5-nitro-phenyl)-4-[[methylsulfonyl(phenyl)amino]methyl]benzamide

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-4-[[methylsulfonyl(phenyl)amino]methyl]benzamide Openeye Name: N-(2-methoxy-5-nitro-phenyl)-4-[(N-methylsulfonylanilino)methyl]benzamide CAS Name: N-(2-methoxy-5-nitrophenyl)-4-[(N-methylsulfonylanilino)methyl]benzamide IUPAC Name: N-(2-methoxy-5-nitrophenyl)-4-[(N-methylsulfonylanilino)methyl]benzamide Traditional Name: 4-[(N-mesylanilino)methyl]-N-(2-methoxy-5-nitro-phenyl)benzamide Formula: C22H21N3O6S MolecularWeight: 455.48364

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC=C(C=C2)CN(C3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC=C(C=C2)CN(C3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C22H21N3O6S/c1-31-21-13-12-19(25(27)28)14-20(21)23-22(26)17-10-8-16(9-11-17)15-24(32(2,29)30)18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,23,26)