(3-benzamidophenyl) 4-bromanyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (3-benzamidophenyl) 4-bromanyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (3-benzamidophenyl) 4-bromo-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-bromo-3-(1-piperidinylsulfonyl)benzoic acid (3-benzamidophenyl) ester IUPAC Name: (3-benzamidophenyl) 4-bromo-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-bromo-3-piperidinosulfonyl-benzoic acid (3-benzamidophenyl) ester Formula: C25H23BrN2O5S MolecularWeight: 543.42952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC3=CC=CC(=C3)NC(=O)C4=CC=CC=C4)Br

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC3=CC=CC(=C3)NC(=O)C4=CC=CC=C4)Br

InChI

InChI=1S/C25H23BrN2O5S/c26-22-13-12-19(16-23(22)34(31,32)28-14-5-2-6-15-28)25(30)33-21-11-7-10-20(17-21)27-24(29)18-8-3-1-4-9-18/h1,3-4,7-13,16-17H,2,5-6,14-15H2,(H,27,29)