N-(2-dimethylaminoethyl)-4-(2-fluorophenyl)sulfanyl-3-nitro-benzenesulfonamide

Systemtic Name: N-(2-dimethylaminoethyl)-4-(2-fluorophenyl)sulfanyl-3-nitro-benzenesulfonamide Openeye Name: N-(2-dimethylaminoethyl)-4-(2-fluorophenyl)sulfanyl-3-nitro-benzenesulfonamide CAS Name: N-(2-dimethylaminoethyl)-4-[(2-fluorophenyl)thio]-3-nitrobenzenesulfonamide IUPAC Name: N-(2-dimethylaminoethyl)-4-(2-fluorophenyl)sulfanyl-3-nitrobenzenesulfonamide Traditional Name: N-(2-dimethylaminoethyl)-4-[(2-fluorophenyl)thio]-3-nitro-benzenesulfonamide Formula: C16H18FN3O4S2 MolecularWeight: 399.460223

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNS(=O)(=O)C1=CC(=C(C=C1)SC2=CC=CC=C2F)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCNS(=O)(=O)C1=CC(=C(C=C1)SC2=CC=CC=C2F)[N+](=O)[O-]

InChI

InChI=1S/C16H18FN3O4S2/c1-19(2)10-9-18-26(23,24)12-7-8-16(14(11-12)20(21)22)25-15-6-4-3-5-13(15)17/h3-8,11,18H,9-10H2,1-2H3