N-(2-dimethylaminoethyl)-4-[2-(2-fluoranylphenoxy)ethyl-methyl-amino]-3-nitro-benzenesulfonamide

Systemtic Name: N-(2-dimethylaminoethyl)-4-[2-(2-fluoranylphenoxy)ethyl-methyl-amino]-3-nitro-benzenesulfonamide Openeye Name: N-(2-dimethylaminoethyl)-4-[2-(2-fluorophenoxy)ethyl-methyl-amino]-3-nitro-benzenesulfonamide CAS Name: N-(2-dimethylaminoethyl)-4-[2-(2-fluorophenoxy)ethyl-methylamino]-3-nitrobenzenesulfonamide IUPAC Name: N-(2-dimethylaminoethyl)-4-[2-(2-fluorophenoxy)ethyl-methylamino]-3-nitrobenzenesulfonamide Traditional Name: N-(2-dimethylaminoethyl)-4-[2-(2-fluorophenoxy)ethyl-methyl-amino]-3-nitro-benzenesulfonamide Formula: C19H25FN4O5S MolecularWeight: 440.489003

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNS(=O)(=O)C1=CC(=C(C=C1)N(C)CCOC2=CC=CC=C2F)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCNS(=O)(=O)C1=CC(=C(C=C1)N(C)CCOC2=CC=CC=C2F)[N+](=O)[O-]

InChI

InChI=1S/C19H25FN4O5S/c1-22(2)11-10-21-30(27,28)15-8-9-17(18(14-15)24(25)26)23(3)12-13-29-19-7-5-4-6-16(19)20/h4-9,14,21H,10-13H2,1-3H3