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

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-4-[methylsulfonyl(phenyl)amino]butanamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-4-(N-methylsulfonylanilino)butanamide CAS Name: N-(2-chloro-5-nitrophenyl)-4-(N-methylsulfonylanilino)butanamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-4-(N-methylsulfonylanilino)butanamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-4-(N-mesylanilino)butyramide Formula: C17H18ClN3O5S MolecularWeight: 411.85992

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CCCC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)C2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)N(CCCC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)C2=CC=CC=C2

InChI

InChI=1S/C17H18ClN3O5S/c1-27(25,26)20(13-6-3-2-4-7-13)11-5-8-17(22)19-16-12-14(21(23)24)9-10-15(16)18/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,19,22)