N-(2-methoxy-5-methyl-phenyl)-2-[(3-nitrophenyl)-(phenylsulfonyl)amino]ethanamide

Systemtic Name: N-(2-methoxy-5-methyl-phenyl)-2-[(3-nitrophenyl)-(phenylsulfonyl)amino]ethanamide Openeye Name: 2-[N-(benzenesulfonyl)-3-nitro-anilino]-N-(2-methoxy-5-methyl-phenyl)acetamide CAS Name: 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-(2-methoxy-5-methylphenyl)acetamide IUPAC Name: 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-(2-methoxy-5-methylphenyl)acetamide Traditional Name: 2-(N-besyl-3-nitro-anilino)-N-(2-methoxy-5-methyl-phenyl)acetamide Formula: C22H21N3O6S MolecularWeight: 455.48364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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