N-[2-methyl-4-oxidanyl-3-(phenylsulfonyl)-5-propan-2-yl-phenyl]benzenesulfonamide

Systemtic Name: N-[2-methyl-4-oxidanyl-3-(phenylsulfonyl)-5-propan-2-yl-phenyl]benzenesulfonamide Openeye Name: N-[3-(benzenesulfonyl)-4-hydroxy-5-isopropyl-2-methyl-phenyl]benzenesulfonamide CAS Name: N-[3-(benzenesulfonyl)-4-hydroxy-2-methyl-5-propan-2-ylphenyl]benzenesulfonamide IUPAC Name: N-[3-(benzenesulfonyl)-4-hydroxy-2-methyl-5-propan-2-ylphenyl]benzenesulfonamide Traditional Name: N-(3-besyl-4-hydroxy-5-isopropyl-2-methyl-phenyl)benzenesulfonamide Formula: C22H23NO5S2 MolecularWeight: 445.55172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1S(=O)(=O)C2=CC=CC=C2)O)C(C)C)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C(=C1S(=O)(=O)C2=CC=CC=C2)O)C(C)C)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H23NO5S2/c1-15(2)19-14-20(23-30(27,28)18-12-8-5-9-13-18)16(3)22(21(19)24)29(25,26)17-10-6-4-7-11-17/h4-15,23-24H,1-3H3