N-(2-chloranyl-5-nitro-phenyl)-2-[(3-chlorophenyl)-methylsulfonyl-amino]butanamide

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-2-[(3-chlorophenyl)-methylsulfonyl-amino]butanamide Openeye Name: 2-(3-chloro-N-methylsulfonyl-anilino)-N-(2-chloro-5-nitro-phenyl)butanamide CAS Name: 2-(3-chloro-N-methylsulfonylanilino)-N-(2-chloro-5-nitrophenyl)butanamide IUPAC Name: 2-(3-chloro-N-methylsulfonylanilino)-N-(2-chloro-5-nitrophenyl)butanamide Traditional Name: 2-(3-chloro-N-mesyl-anilino)-N-(2-chloro-5-nitro-phenyl)butyramide Formula: C17H17Cl2N3O5S MolecularWeight: 446.30498

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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)Cl)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C17H17Cl2N3O5S/c1-3-16(21(28(2,26)27)12-6-4-5-11(18)9-12)17(23)20-15-10-13(22(24)25)7-8-14(15)19/h4-10,16H,3H2,1-2H3,(H,20,23)