(4-methyl-2-oxidanylidene-chromen-7-yl) 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-benzoate

Systemtic Name: (4-methyl-2-oxidanylidene-chromen-7-yl) 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-benzoate Openeye Name: (4-methyl-2-oxo-chromen-7-yl) 3-[(3,5-dimethyl-1-piperidyl)sulfonyl]-4-methoxy-benzoate CAS Name: 3-[(3,5-dimethyl-1-piperidinyl)sulfonyl]-4-methoxybenzoic acid (4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4-methyl-2-oxochromen-7-yl) 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzoate Traditional Name: 3-(3,5-dimethylpiperidino)sulfonyl-4-methoxy-benzoic acid (2-keto-4-methyl-chromen-7-yl) ester Formula: C25H27NO7S MolecularWeight: 485.54938

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC3=CC4=C(C=C3)C(=CC(=O)O4)C)OC)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC3=CC4=C(C=C3)C(=CC(=O)O4)C)OC)C

InChI

InChI=1S/C25H27NO7S/c1-15-9-16(2)14-26(13-15)34(29,30)23-11-18(5-8-21(23)31-4)25(28)32-19-6-7-20-17(3)10-24(27)33-22(20)12-19/h5-8,10-12,15-16H,9,13-14H2,1-4H3