5-chloranyl-2-[(3S,4R)-2,2-dimethyl-3-oxidanyl-6-(phenylsulfonyl)-3,4-dihydrochromen-4-yl]-3H-isoindol-1-one

Systemtic Name: 5-chloranyl-2-[(3S,4R)-2,2-dimethyl-3-oxidanyl-6-(phenylsulfonyl)-3,4-dihydrochromen-4-yl]-3H-isoindol-1-one Openeye Name: 2-[(3S,4R)-6-(benzenesulfonyl)-3-hydroxy-2,2-dimethyl-chroman-4-yl]-5-chloro-isoindolin-1-one CAS Name: 2-[(3S,4R)-6-(benzenesulfonyl)-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-5-chloro-3H-isoindol-1-one IUPAC Name: 2-[(3S,4R)-6-(benzenesulfonyl)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-5-chloro-3H-isoindol-1-one Traditional Name: 2-[(3S,4R)-6-besyl-3-hydroxy-2,2-dimethyl-chroman-4-yl]-5-chloro-isoindolin-1-one Formula: C25H22ClNO5S MolecularWeight: 483.96388

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)S(=O)(=O)C3=CC=CC=C3)N4CC5=C(C4=O)C=CC(=C5)Cl)O)C

Isomeric SMILES

CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)S(=O)(=O)C3=CC=CC=C3)N4CC5=C(C4=O)C=CC(=C5)Cl)O)C

InChI

InChI=1S/C25H22ClNO5S/c1-25(2)23(28)22(27-14-15-12-16(26)8-10-19(15)24(27)29)20-13-18(9-11-21(20)32-25)33(30,31)17-6-4-3-5-7-17/h3-13,22-23,28H,14H2,1-2H3/t22-,23+/m1/s1