(2-oxidanylidene-2-piperidin-1-yl-ethyl) 3-[(4-bromophenyl)sulfonylamino]benzoate

Systemtic Name: (2-oxidanylidene-2-piperidin-1-yl-ethyl) 3-[(4-bromophenyl)sulfonylamino]benzoate Openeye Name: [2-oxo-2-(1-piperidyl)ethyl] 3-[(4-bromophenyl)sulfonylamino]benzoate CAS Name: 3-[(4-bromophenyl)sulfonylamino]benzoic acid [2-oxo-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-2-piperidin-1-ylethyl) 3-[(4-bromophenyl)sulfonylamino]benzoate Traditional Name: 3-(brosylamino)benzoic acid (2-keto-2-piperidino-ethyl) ester Formula: C20H21BrN2O5S MolecularWeight: 481.36014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)COC(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CCN(CC1)C(=O)COC(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H21BrN2O5S/c21-16-7-9-18(10-8-16)29(26,27)22-17-6-4-5-15(13-17)20(25)28-14-19(24)23-11-2-1-3-12-23/h4-10,13,22H,1-3,11-12,14H2