[2-(2,3-dihydro-1H-inden-5-yl)-2-oxidanylidene-ethyl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-(2,3-dihydro-1H-inden-5-yl)-2-oxidanylidene-ethyl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (2-indan-5-yl-2-oxo-ethyl) 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid (2-indan-5-yl-2-keto-ethyl) ester Formula: C24H27NO5S MolecularWeight: 441.53988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC3=C(CCC3)C=C2)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC3=C(CCC3)C=C2)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C24H27NO5S/c1-17-8-9-21(15-23(17)31(28,29)25-12-3-2-4-13-25)24(27)30-16-22(26)20-11-10-18-6-5-7-19(18)14-20/h8-11,14-15H,2-7,12-13,16H2,1H3