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

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-2-[methylsulfonyl(phenyl)amino]butanamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-2-(N-methylsulfonylanilino)butanamide CAS Name: N-(2-chloro-5-nitrophenyl)-2-(N-methylsulfonylanilino)butanamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-2-(N-methylsulfonylanilino)butanamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-2-(N-mesylanilino)butyramide Formula: C17H18ClN3O5S MolecularWeight: 411.85992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN3O5S/c1-3-16(20(27(2,25)26)12-7-5-4-6-8-12)17(22)19-15-11-13(21(23)24)9-10-14(15)18/h4-11,16H,3H2,1-2H3,(H,19,22)