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

Systemtic Name: [1-oxidanylidene-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl] 4-methylsulfonylbenzoate Openeye Name: [1-methyl-2-oxo-2-(tetralin-1-ylamino)ethyl] 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid [1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl] 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [2-keto-1-methyl-2-(tetralin-1-ylamino)ethyl] ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCC2=CC=CC=C12)OC(=O)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC(C(=O)NC1CCCC2=CC=CC=C12)OC(=O)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C21H23NO5S/c1-14(27-21(24)16-10-12-17(13-11-16)28(2,25)26)20(23)22-19-9-5-7-15-6-3-4-8-18(15)19/h3-4,6,8,10-14,19H,5,7,9H2,1-2H3,(H,22,23)