(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C23H23NO6S MolecularWeight: 441.49682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4)C

InChI

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