[3-(2-chloranyl-6-fluoranyl-phenyl)-2-methyl-4-oxidanylidene-chromen-7-yl] 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [3-(2-chloranyl-6-fluoranyl-phenyl)-2-methyl-4-oxidanylidene-chromen-7-yl] 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [3-(2-chloro-6-fluoro-phenyl)-2-methyl-4-oxo-chromen-7-yl] 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid [3-(2-chloro-6-fluorophenyl)-2-methyl-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(2-chloro-6-fluorophenyl)-2-methyl-4-oxochromen-7-yl] 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid [3-(2-chloro-6-fluoro-phenyl)-4-keto-2-methyl-chromen-7-yl] ester Formula: C27H21ClFNO6S MolecularWeight: 541.975143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4)C5=C(C=CC=C5Cl)F

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4)C5=C(C=CC=C5Cl)F

InChI

InChI=1S/C27H21ClFNO6S/c1-16-24(25-21(28)8-5-9-22(25)29)26(31)20-11-10-18(15-23(20)35-16)36-27(32)17-6-4-7-19(14-17)37(33,34)30-12-2-3-13-30/h4-11,14-15H,2-3,12-13H2,1H3