[1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxidanylidene-propan-2-yl] 2-methylsulfonylbenzoate

Systemtic Name: [1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxidanylidene-propan-2-yl] 2-methylsulfonylbenzoate Openeye Name: [2-(indan-5-ylamino)-1-methyl-2-oxo-ethyl] 2-methylsulfonylbenzoate CAS Name: 2-methylsulfonylbenzoic acid [1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 2-methylsulfonylbenzoate Traditional Name: 2-mesylbenzoic acid [2-(indan-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(CCC2)C=C1)OC(=O)C3=CC=CC=C3S(=O)(=O)C

Isomeric SMILES

CC(C(=O)NC1=CC2=C(CCC2)C=C1)OC(=O)C3=CC=CC=C3S(=O)(=O)C

InChI

InChI=1S/C20H21NO5S/c1-13(19(22)21-16-11-10-14-6-5-7-15(14)12-16)26-20(23)17-8-3-4-9-18(17)27(2,24)25/h3-4,8-13H,5-7H2,1-2H3,(H,21,22)