(7-methyl-2-oxidanylidene-chromen-4-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C22H21NO6S MolecularWeight: 427.47024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO6S/c1-15-4-9-19-17(13-21(24)29-20(19)12-15)14-28-22(25)16-5-7-18(8-6-16)30(26,27)23-10-2-3-11-23/h4-9,12-13H,2-3,10-11,14H2,1H3