4-[(5-chloranyl-2-fluoranyl-phenyl)amino]-N-(2-dimethylaminoethyl)-3-nitro-benzenesulfonamide

Systemtic Name: 4-[(5-chloranyl-2-fluoranyl-phenyl)amino]-N-(2-dimethylaminoethyl)-3-nitro-benzenesulfonamide Openeye Name: 4-(5-chloro-2-fluoro-anilino)-N-(2-dimethylaminoethyl)-3-nitro-benzenesulfonamide CAS Name: 4-(5-chloro-2-fluoroanilino)-N-(2-dimethylaminoethyl)-3-nitrobenzenesulfonamide IUPAC Name: 4-(5-chloro-2-fluoroanilino)-N-(2-dimethylaminoethyl)-3-nitrobenzenesulfonamide Traditional Name: 4-(5-chloro-2-fluoro-anilino)-N-(2-dimethylaminoethyl)-3-nitro-benzenesulfonamide Formula: C16H18ClFN4O4S MolecularWeight: 416.854923

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNS(=O)(=O)C1=CC(=C(C=C1)NC2=C(C=CC(=C2)Cl)F)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCNS(=O)(=O)C1=CC(=C(C=C1)NC2=C(C=CC(=C2)Cl)F)[N+](=O)[O-]

InChI

InChI=1S/C16H18ClFN4O4S/c1-21(2)8-7-19-27(25,26)12-4-6-14(16(10-12)22(23)24)20-15-9-11(17)3-5-13(15)18/h3-6,9-10,19-20H,7-8H2,1-2H3