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

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid (6-chloro-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=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4)Cl

InChI

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