(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-benzoate

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-benzoate Openeye Name: (7-methoxy-2-oxo-chromen-4-yl)methyl 2-methyl-5-[(2-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 2-methyl-5-[(2-methyl-1-piperidinyl)sulfonyl]benzoic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl 2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 2-methyl-5-(2-methylpiperidino)sulfonyl-benzoic acid (2-keto-7-methoxy-chromen-4-yl)methyl ester Formula: C25H27NO7S MolecularWeight: 485.54938

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC(=C(C=C2)C)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)OC

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=CC(=C(C=C2)C)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)OC

InChI

InChI=1S/C25H27NO7S/c1-16-7-9-20(34(29,30)26-11-5-4-6-17(26)2)14-22(16)25(28)32-15-18-12-24(27)33-23-13-19(31-3)8-10-21(18)23/h7-10,12-14,17H,4-6,11,15H2,1-3H3