N-(2-dimethylaminoethyl)-4-[2-(2-fluorophenyl)ethylamino]-3-nitro-benzenesulfonamide

Systemtic Name: N-(2-dimethylaminoethyl)-4-[2-(2-fluorophenyl)ethylamino]-3-nitro-benzenesulfonamide Openeye Name: N-(2-dimethylaminoethyl)-4-[2-(2-fluorophenyl)ethylamino]-3-nitro-benzenesulfonamide CAS Name: N-(2-dimethylaminoethyl)-4-[2-(2-fluorophenyl)ethylamino]-3-nitrobenzenesulfonamide IUPAC Name: N-(2-dimethylaminoethyl)-4-[2-(2-fluorophenyl)ethylamino]-3-nitrobenzenesulfonamide Traditional Name: N-(2-dimethylaminoethyl)-4-[2-(2-fluorophenyl)ethylamino]-3-nitro-benzenesulfonamide Formula: C18H23FN4O4S MolecularWeight: 410.463023

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNS(=O)(=O)C1=CC(=C(C=C1)NCCC2=CC=CC=C2F)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCNS(=O)(=O)C1=CC(=C(C=C1)NCCC2=CC=CC=C2F)[N+](=O)[O-]

InChI

InChI=1S/C18H23FN4O4S/c1-22(2)12-11-21-28(26,27)15-7-8-17(18(13-15)23(24)25)20-10-9-14-5-3-4-6-16(14)19/h3-8,13,20-21H,9-12H2,1-2H3