4-[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]-N-(2-dimethylaminoethyl)-3-nitro-benzenesulfonamide

Systemtic Name: 4-[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]-N-(2-dimethylaminoethyl)-3-nitro-benzenesulfonamide Openeye Name: 4-[(2-chloro-6-fluoro-phenyl)methyl-methyl-amino]-N-(2-dimethylaminoethyl)-3-nitro-benzenesulfonamide CAS Name: 4-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(2-dimethylaminoethyl)-3-nitrobenzenesulfonamide IUPAC Name: 4-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(2-dimethylaminoethyl)-3-nitrobenzenesulfonamide Traditional Name: 4-[(2-chloro-6-fluoro-benzyl)-methyl-amino]-N-(2-dimethylaminoethyl)-3-nitro-benzenesulfonamide Formula: C18H22ClFN4O4S MolecularWeight: 444.908083

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNS(=O)(=O)C1=CC(=C(C=C1)N(C)CC2=C(C=CC=C2Cl)F)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCNS(=O)(=O)C1=CC(=C(C=C1)N(C)CC2=C(C=CC=C2Cl)F)[N+](=O)[O-]

InChI

InChI=1S/C18H22ClFN4O4S/c1-22(2)10-9-21-29(27,28)13-7-8-17(18(11-13)24(25)26)23(3)12-14-15(19)5-4-6-16(14)20/h4-8,11,21H,9-10,12H2,1-3H3