(2-oxidanylidene-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (2-oxidanylidene-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid (2-oxo-7,8-dihydro-6H-cyclopenta[g][1]benzopyran-4-yl)methyl ester IUPAC Name: (2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid (2-keto-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl ester Formula: C26H27NO6S MolecularWeight: 481.56068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=CC(=O)OC3=CC4=C(CCC4)C=C23)S(=O)(=O)N5CCCCC5

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=CC(=O)OC3=CC4=C(CCC4)C=C23)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C26H27NO6S/c1-17-8-9-20(14-24(17)34(30,31)27-10-3-2-4-11-27)26(29)32-16-21-15-25(28)33-23-13-19-7-5-6-18(19)12-22(21)23/h8-9,12-15H,2-7,10-11,16H2,1H3