(3-oxidanylidenebenzo[f]chromen-1-yl)methyl 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: (3-oxidanylidenebenzo[f]chromen-1-yl)methyl 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: (3-oxobenzo[f]chromen-1-yl)methyl 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-methoxy-3-(1-pyrrolidinylsulfonyl)benzoic acid (3-oxo-1-benzo[f][1]benzopyranyl)methyl ester IUPAC Name: (3-oxobenzo[f]chromen-1-yl)methyl 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-pyrrolidinosulfonyl-benzoic acid (3-ketobenzo[f]chromen-1-yl)methyl ester Formula: C26H23NO7S MolecularWeight: 493.52832

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3)S(=O)(=O)N5CCCC5

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C26H23NO7S/c1-32-21-10-9-18(14-23(21)35(30,31)27-12-4-5-13-27)26(29)33-16-19-15-24(28)34-22-11-8-17-6-2-3-7-20(17)25(19)22/h2-3,6-11,14-15H,4-5,12-13,16H2,1H3