N-(2-methyl-3-nitro-phenyl)-2-[methylsulfonyl-(phenylmethyl)amino]benzamide

Systemtic Name: N-(2-methyl-3-nitro-phenyl)-2-[methylsulfonyl-(phenylmethyl)amino]benzamide Openeye Name: 2-[benzyl(methylsulfonyl)amino]-N-(2-methyl-3-nitro-phenyl)benzamide CAS Name: N-(2-methyl-3-nitrophenyl)-2-[methylsulfonyl-(phenylmethyl)amino]benzamide IUPAC Name: 2-[benzyl(methylsulfonyl)amino]-N-(2-methyl-3-nitrophenyl)benzamide Traditional Name: 2-[benzyl(mesyl)amino]-N-(2-methyl-3-nitro-phenyl)benzamide Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C2=CC=CC=C2N(CC3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C2=CC=CC=C2N(CC3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C22H21N3O5S/c1-16-19(12-8-14-20(16)25(27)28)23-22(26)18-11-6-7-13-21(18)24(31(2,29)30)15-17-9-4-3-5-10-17/h3-14H,15H2,1-2H3,(H,23,26)