[2-[(2-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate

Systemtic Name: [2-[(2-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate Openeye Name: [2-(2-methylsulfonylanilino)-2-oxo-ethyl] tetralin-6-carboxylate CAS Name: 5,6,7,8-tetrahydronaphthalene-2-carboxylic acid [2-(2-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylsulfonylanilino)-2-oxoethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate Traditional Name: tetralin-6-carboxylic acid [2-keto-2-(2-mesylanilino)ethyl] ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1NC(=O)COC(=O)C2=CC3=C(CCCC3)C=C2

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1NC(=O)COC(=O)C2=CC3=C(CCCC3)C=C2

InChI

InChI=1S/C20H21NO5S/c1-27(24,25)18-9-5-4-8-17(18)21-19(22)13-26-20(23)16-11-10-14-6-2-3-7-15(14)12-16/h4-5,8-12H,2-3,6-7,13H2,1H3,(H,21,22)