[2-oxidanylidene-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-oxo-2-(tetralin-1-ylamino)ethyl] 4-fluoro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-fluoro-3-(1-piperidinylsulfonyl)benzoic 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] 4-fluoro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-piperidinosulfonyl-benzoic acid [2-keto-2-(tetralin-1-ylamino)ethyl] ester Formula: C24H27FN2O5S MolecularWeight: 474.544983

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC3CCCC4=CC=CC=C34)F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC3CCCC4=CC=CC=C34)F

InChI

InChI=1S/C24H27FN2O5S/c25-20-12-11-18(15-22(20)33(30,31)27-13-4-1-5-14-27)24(29)32-16-23(28)26-21-10-6-8-17-7-2-3-9-19(17)21/h2-3,7,9,11-12,15,21H,1,4-6,8,10,13-14,16H2,(H,26,28)