(7-methyl-2-oxidanylidene-chromen-4-yl)methyl 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-pyrrolidinosulfonyl-benzoic acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C22H20ClNO6S MolecularWeight: 461.9153

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H20ClNO6S/c1-14-4-6-17-16(12-21(25)30-19(17)10-14)13-29-22(26)15-5-7-18(23)20(11-15)31(27,28)24-8-2-3-9-24/h4-7,10-12H,2-3,8-9,13H2,1H3