2-bromanyl-5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)sulfonyl-benzoic acid

Systemtic Name: 2-bromanyl-5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)sulfonyl-benzoic acid Openeye Name: 2-bromo-5-[4-(2-naphthylsulfonyl)piperazin-1-yl]sulfonyl-benzoic acid CAS Name: 2-bromo-5-[[4-(2-naphthalenylsulfonyl)-1-piperazinyl]sulfonyl]benzoic acid IUPAC Name: 2-bromo-5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)sulfonylbenzoic acid Traditional Name: 2-bromo-5-[4-(2-naphthylsulfonyl)piperazino]sulfonyl-benzoic acid Formula: C21H19BrN2O6S2 MolecularWeight: 539.41936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1S(=O)(=O)C2=CC3=CC=CC=C3C=C2)S(=O)(=O)C4=CC(=C(C=C4)Br)C(=O)O

Isomeric SMILES

C1CN(CCN1S(=O)(=O)C2=CC3=CC=CC=C3C=C2)S(=O)(=O)C4=CC(=C(C=C4)Br)C(=O)O

InChI

InChI=1S/C21H19BrN2O6S2/c22-20-8-7-18(14-19(20)21(25)26)32(29,30)24-11-9-23(10-12-24)31(27,28)17-6-5-15-3-1-2-4-16(15)13-17/h1-8,13-14H,9-12H2,(H,25,26)