4-[4,4-bis(hydroxymethyl)-2-(4-pyridin-2-ylphenyl)cyclopenten-1-yl]benzenesulfonamide

Systemtic Name: 4-[4,4-bis(hydroxymethyl)-2-(4-pyridin-2-ylphenyl)cyclopenten-1-yl]benzenesulfonamide Openeye Name: 4-[4,4-bis(hydroxymethyl)-2-[4-(2-pyridyl)phenyl]cyclopenten-1-yl]benzenesulfonamide CAS Name: 4-[4,4-bis(hydroxymethyl)-2-[4-(2-pyridinyl)phenyl]-1-cyclopentenyl]benzenesulfonamide IUPAC Name: 4-[4,4-bis(hydroxymethyl)-2-(4-pyridin-2-ylphenyl)cyclopenten-1-yl]benzenesulfonamide Traditional Name: 4-[4,4-dimethylol-2-[4-(2-pyridyl)phenyl]cyclopenten-1-yl]benzenesulfonamide Formula: C24H24N2O4S MolecularWeight: 436.52336

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(CC1(CO)CO)C2=CC=C(C=C2)S(=O)(=O)N)C3=CC=C(C=C3)C4=CC=CC=N4

Isomeric SMILES

C1C(=C(CC1(CO)CO)C2=CC=C(C=C2)S(=O)(=O)N)C3=CC=C(C=C3)C4=CC=CC=N4

InChI

InChI=1S/C24H24N2O4S/c25-31(29,30)20-10-8-18(9-11-20)22-14-24(15-27,16-28)13-21(22)17-4-6-19(7-5-17)23-3-1-2-12-26-23/h1-12,27-28H,13-16H2,(H2,25,29,30)