1-(7-chloranyl-6-cyclohexa-1,5-dien-1-ylsulfonyl-2,2-dimethyl-3-oxidanyl-chromen-4-yl)pyrrolidin-2-one

Systemtic Name: 1-(7-chloranyl-6-cyclohexa-1,5-dien-1-ylsulfonyl-2,2-dimethyl-3-oxidanyl-chromen-4-yl)pyrrolidin-2-one Openeye Name: 1-(7-chloro-6-cyclohexa-1,5-dien-1-ylsulfonyl-3-hydroxy-2,2-dimethyl-chromen-4-yl)pyrrolidin-2-one CAS Name: 1-[7-chloro-6-(1-cyclohexa-1,5-dienylsulfonyl)-3-hydroxy-2,2-dimethyl-1-benzopyran-4-yl]-2-pyrrolidinone IUPAC Name: 1-(7-chloro-6-cyclohexa-1,5-dien-1-ylsulfonyl-3-hydroxy-2,2-dimethylchromen-4-yl)pyrrolidin-2-one Traditional Name: 1-(7-chloro-6-cyclohexa-1,5-dien-1-ylsulfonyl-3-hydroxy-2,2-dimethyl-chromen-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=CCCC=C3)N4CCCC4=O)O)C

Isomeric SMILES

CC1(C(=C(C2=CC(=C(C=C2O1)Cl)S(=O)(=O)C3=CCCC=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/h4,7-8,11-12,25H,3,5-6,9-10H2,1-2H3