(7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 2-chloro-5-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 2-chloro-5-(1-pyrrolidinylsulfonyl)benzoic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 2-chloro-5-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-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=C(C=CC(=C3)S(=O)(=O)N4CCCC4)Cl

Isomeric SMILES

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

InChI

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