[1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxidanylidene-propan-2-yl] 4-methylsulfonylbenzoate

Systemtic Name: [1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxidanylidene-propan-2-yl] 4-methylsulfonylbenzoate Openeye Name: [2-(indan-5-ylamino)-1-methyl-2-oxo-ethyl] 4-methylsulfonylbenzoate CAS Name: 4-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] 4-methylsulfonylbenzoate Traditional Name: 4-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=C(C=C3)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO5S/c1-13(19(22)21-17-9-6-14-4-3-5-16(14)12-17)26-20(23)15-7-10-18(11-8-15)27(2,24)25/h6-13H,3-5H2,1-2H3,(H,21,22)