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

Systemtic Name: (6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (6-chloro-7-ethyl-2-oxo-chromen-4-yl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid (6-chloro-7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-ethyl-2-oxochromen-4-yl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid (6-chloro-7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C23H22ClNO6S MolecularWeight: 475.94188

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4)Cl

InChI

InChI=1S/C23H22ClNO6S/c1-2-15-11-21-19(13-20(15)24)17(12-22(26)31-21)14-30-23(27)16-6-5-7-18(10-16)32(28,29)25-8-3-4-9-25/h5-7,10-13H,2-4,8-9,14H2,1H3