(7-methyl-2-oxidanylidene-chromen-4-yl)methyl 1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 1-(p-tolylsulfonyl)pyrrolidine-2-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: 1-tosylpyrrolidine-2-carboxylic acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C23H23NO6S MolecularWeight: 441.49682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)C

InChI

InChI=1S/C23H23NO6S/c1-15-5-8-18(9-6-15)31(27,28)24-11-3-4-20(24)23(26)29-14-17-13-22(25)30-21-12-16(2)7-10-19(17)21/h5-10,12-13,20H,3-4,11,14H2,1-2H3