[2-(2,3-dihydro-1H-inden-5-yl)-2-oxidanylidene-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [2-(2,3-dihydro-1H-inden-5-yl)-2-oxidanylidene-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (2-indan-5-yl-2-oxo-ethyl) 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)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] 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid (2-indan-5-yl-2-keto-ethyl) ester Formula: C22H23NO5S MolecularWeight: 413.48672

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)C3=CC4=C(CCC4)C=C3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)C3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C22H23NO5S/c24-21(18-10-9-16-5-3-6-17(16)13-18)15-28-22(25)19-7-4-8-20(14-19)29(26,27)23-11-1-2-12-23/h4,7-10,13-14H,1-3,5-6,11-12,15H2