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

Systemtic Name: N-(2-methyl-3-nitro-phenyl)-2-[methylsulfonyl(phenyl)amino]butanamide Openeye Name: N-(2-methyl-3-nitro-phenyl)-2-(N-methylsulfonylanilino)butanamide CAS Name: N-(2-methyl-3-nitrophenyl)-2-(N-methylsulfonylanilino)butanamide IUPAC Name: N-(2-methyl-3-nitrophenyl)-2-(N-methylsulfonylanilino)butanamide Traditional Name: 2-(N-mesylanilino)-N-(2-methyl-3-nitro-phenyl)butyramide Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=CC=C1)[N+](=O)[O-])C)N(C2=CC=CC=C2)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NC1=C(C(=CC=C1)[N+](=O)[O-])C)N(C2=CC=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C18H21N3O5S/c1-4-16(20(27(3,25)26)14-9-6-5-7-10-14)18(22)19-15-11-8-12-17(13(15)2)21(23)24/h5-12,16H,4H2,1-3H3,(H,19,22)