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

Systemtic Name: (4-methyl-2-oxidanylidene-chromen-7-yl) 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: (4-methyl-2-oxo-chromen-7-yl) 4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid (4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4-methyl-2-oxochromen-7-yl) 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-pyrrolidinosulfonyl-benzoic acid (2-keto-4-methyl-chromen-7-yl) ester Formula: C21H18ClNO6S MolecularWeight: 447.88872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H18ClNO6S/c1-13-10-20(24)29-18-12-15(5-6-16(13)18)28-21(25)14-4-7-17(22)19(11-14)30(26,27)23-8-2-3-9-23/h4-7,10-12H,2-3,8-9H2,1H3