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

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-4-[methylsulfonyl(phenyl)amino]butanamide Openeye Name: N-(2-methoxy-5-nitro-phenyl)-4-(N-methylsulfonylanilino)butanamide CAS Name: N-(2-methoxy-5-nitrophenyl)-4-(N-methylsulfonylanilino)butanamide IUPAC Name: N-(2-methoxy-5-nitrophenyl)-4-(N-methylsulfonylanilino)butanamide Traditional Name: 4-(N-mesylanilino)-N-(2-methoxy-5-nitro-phenyl)butyramide Formula: C18H21N3O6S MolecularWeight: 407.44084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O6S/c1-27-17-11-10-15(21(23)24)13-16(17)19-18(22)9-6-12-20(28(2,25)26)14-7-4-3-5-8-14/h3-5,7-8,10-11,13H,6,9,12H2,1-2H3,(H,19,22)