1-[7-chloranyl-2,2-dimethyl-3-oxidanyl-6-(phenylsulfonyl)-3,4-dihydrochromen-4-yl]pyrrolidin-2-one

Systemtic Name: 1-[7-chloranyl-2,2-dimethyl-3-oxidanyl-6-(phenylsulfonyl)-3,4-dihydrochromen-4-yl]pyrrolidin-2-one Openeye Name: 1-[6-(benzenesulfonyl)-7-chloro-3-hydroxy-2,2-dimethyl-chroman-4-yl]pyrrolidin-2-one CAS Name: 1-[6-(benzenesulfonyl)-7-chloro-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-2-pyrrolidinone IUPAC Name: 1-[6-(benzenesulfonyl)-7-chloro-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]pyrrolidin-2-one Traditional Name: 1-(6-besyl-7-chloro-3-hydroxy-2,2-dimethyl-chroman-4-yl)-2-pyrrolidone Formula: C21H22ClNO5S MolecularWeight: 435.92108

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=CC(=C(C=C2O1)Cl)S(=O)(=O)C3=CC=CC=C3)N4CCCC4=O)O)C

Isomeric SMILES

CC1(C(C(C2=CC(=C(C=C2O1)Cl)S(=O)(=O)C3=CC=CC=C3)N4CCCC4=O)O)C

InChI

InChI=1S/C21H22ClNO5S/c1-21(2)20(25)19(23-10-6-9-18(23)24)14-11-17(15(22)12-16(14)28-21)29(26,27)13-7-4-3-5-8-13/h3-5,7-8,11-12,19-20,25H,6,9-10H2,1-2H3