(2-methyl-4-oxidanylidene-3-phenyl-chromen-7-yl) 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: (2-methyl-4-oxidanylidene-3-phenyl-chromen-7-yl) 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (2-methyl-4-oxo-3-phenyl-chromen-7-yl) 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid (2-methyl-4-oxo-3-phenyl-1-benzopyran-7-yl) ester IUPAC Name: (2-methyl-4-oxo-3-phenylchromen-7-yl) 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid (4-keto-2-methyl-3-phenyl-chromen-7-yl) ester Formula: C27H23NO6S MolecularWeight: 489.53962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4)C5=CC=CC=C5

InChI

InChI=1S/C27H23NO6S/c1-18-25(19-8-3-2-4-9-19)26(29)23-13-12-21(17-24(23)33-18)34-27(30)20-10-7-11-22(16-20)35(31,32)28-14-5-6-15-28/h2-4,7-13,16-17H,5-6,14-15H2,1H3