[2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate

Systemtic Name: [2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate Openeye Name: [2-(3-methylsulfonylanilino)-2-oxo-ethyl] tetralin-6-carboxylate CAS Name: 5,6,7,8-tetrahydronaphthalene-2-carboxylic acid [2-(3-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfonylanilino)-2-oxoethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate Traditional Name: tetralin-6-carboxylic acid [2-keto-2-(3-mesylanilino)ethyl] ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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