[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl] 3-(methylsulfonylmethyl)benzoate

Systemtic Name: [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl] 3-(methylsulfonylmethyl)benzoate Openeye Name: [2-(indan-5-ylamino)-2-oxo-ethyl] 3-(methylsulfonylmethyl)benzoate CAS Name: 3-(methylsulfonylmethyl)benzoic acid [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 3-(methylsulfonylmethyl)benzoate Traditional Name: 3-(mesylmethyl)benzoic acid [2-(indan-5-ylamino)-2-keto-ethyl] ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC1=CC=CC(=C1)C(=O)OCC(=O)NC2=CC3=C(CCC3)C=C2

Isomeric SMILES

CS(=O)(=O)CC1=CC=CC(=C1)C(=O)OCC(=O)NC2=CC3=C(CCC3)C=C2

InChI

InChI=1S/C20H21NO5S/c1-27(24,25)13-14-4-2-7-17(10-14)20(23)26-12-19(22)21-18-9-8-15-5-3-6-16(15)11-18/h2,4,7-11H,3,5-6,12-13H2,1H3,(H,21,22)