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

Systemtic Name: N-[2,5-dimethyl-4-oxidanyl-3-(phenylsulfonyl)phenyl]-4-methoxy-benzenesulfonamide Openeye Name: N-[3-(benzenesulfonyl)-4-hydroxy-2,5-dimethyl-phenyl]-4-methoxy-benzenesulfonamide CAS Name: N-[3-(benzenesulfonyl)-4-hydroxy-2,5-dimethylphenyl]-4-methoxybenzenesulfonamide IUPAC Name: N-[3-(benzenesulfonyl)-4-hydroxy-2,5-dimethylphenyl]-4-methoxybenzenesulfonamide Traditional Name: N-(3-besyl-4-hydroxy-2,5-dimethyl-phenyl)-4-methoxy-benzenesulfonamide Formula: C21H21NO6S2 MolecularWeight: 447.52454

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO6S2/c1-14-13-19(22-30(26,27)18-11-9-16(28-3)10-12-18)15(2)21(20(14)23)29(24,25)17-7-5-4-6-8-17/h4-13,22-23H,1-3H3