N1-(3-chloranyl-2-methyl-phenyl)-N3-[2-(2-fluorophenyl)ethyl]-4-oxidanyl-benzene-1,3-disulfonamide

Systemtic Name: N1-(3-chloranyl-2-methyl-phenyl)-N3-[2-(2-fluorophenyl)ethyl]-4-oxidanyl-benzene-1,3-disulfonamide Openeye Name: N1-(3-chloro-2-methyl-phenyl)-N3-[2-(2-fluorophenyl)ethyl]-4-hydroxy-benzene-1,3-disulfonamide CAS Name: N1-(3-chloro-2-methylphenyl)-N3-[2-(2-fluorophenyl)ethyl]-4-hydroxybenzene-1,3-disulfonamide IUPAC Name: 1-N-(3-chloro-2-methylphenyl)-3-N-[2-(2-fluorophenyl)ethyl]-4-hydroxybenzene-1,3-disulfonamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-N'-[2-(2-fluorophenyl)ethyl]-4-hydroxy-benzene-1,3-disulfonamide Formula: C21H20ClFN2O5S2 MolecularWeight: 498.975303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NS(=O)(=O)C2=CC(=C(C=C2)O)S(=O)(=O)NCCC3=CC=CC=C3F

Isomeric SMILES

CC1=C(C=CC=C1Cl)NS(=O)(=O)C2=CC(=C(C=C2)O)S(=O)(=O)NCCC3=CC=CC=C3F

InChI

InChI=1S/C21H20ClFN2O5S2/c1-14-17(22)6-4-8-19(14)25-31(27,28)16-9-10-20(26)21(13-16)32(29,30)24-12-11-15-5-2-3-7-18(15)23/h2-10,13,24-26H,11-12H2,1H3