4-chloranyl-N-[2,5-dimethyl-4-oxidanyl-3-(phenylsulfonyl)phenyl]benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[2,5-dimethyl-4-oxidanyl-3-(phenylsulfonyl)phenyl]benzenesulfonamide Openeye Name: N-[3-(benzenesulfonyl)-4-hydroxy-2,5-dimethyl-phenyl]-4-chloro-benzenesulfonamide CAS Name: N-[3-(benzenesulfonyl)-4-hydroxy-2,5-dimethylphenyl]-4-chlorobenzenesulfonamide IUPAC Name: N-[3-(benzenesulfonyl)-4-hydroxy-2,5-dimethylphenyl]-4-chlorobenzenesulfonamide Traditional Name: N-(3-besyl-4-hydroxy-2,5-dimethyl-phenyl)-4-chloro-benzenesulfonamide Formula: C20H18ClNO5S2 MolecularWeight: 451.94362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1O)S(=O)(=O)C2=CC=CC=C2)C)NS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC(=C(C(=C1O)S(=O)(=O)C2=CC=CC=C2)C)NS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H18ClNO5S2/c1-13-12-18(22-29(26,27)17-10-8-15(21)9-11-17)14(2)20(19(13)23)28(24,25)16-6-4-3-5-7-16/h3-12,22-23H,1-2H3