[2-oxidanylidene-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 3-methylsulfonylbenzoate

Systemtic Name: [2-oxidanylidene-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 3-methylsulfonylbenzoate Openeye Name: [2-oxo-2-(tetralin-1-ylamino)ethyl] 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid [2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid [2-keto-2-(tetralin-1-ylamino)ethyl] ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)NC2CCCC3=CC=CC=C23

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)NC2CCCC3=CC=CC=C23

InChI

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