(6-bromanylnaphthalen-2-yl) 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: (6-bromanylnaphthalen-2-yl) 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (6-bromo-2-naphthyl) 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid (6-bromo-2-naphthalenyl) ester IUPAC Name: (6-bromonaphthalen-2-yl) 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid (6-bromo-2-naphthyl) ester Formula: C21H18BrNO4S MolecularWeight: 460.34092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=CC4=C(C=C3)C=C(C=C4)Br

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=CC4=C(C=C3)C=C(C=C4)Br

InChI

InChI=1S/C21H18BrNO4S/c22-18-8-6-16-13-19(9-7-15(16)12-18)27-21(24)17-4-3-5-20(14-17)28(25,26)23-10-1-2-11-23/h3-9,12-14H,1-2,10-11H2