3-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)sulfonylbenzoic acid

Systemtic Name: 3-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)sulfonylbenzoic acid Openeye Name: 3-[4-(2-naphthylsulfonyl)piperazin-1-yl]sulfonylbenzoic acid CAS Name: 3-[[4-(2-naphthalenylsulfonyl)-1-piperazinyl]sulfonyl]benzoic acid IUPAC Name: 3-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)sulfonylbenzoic acid Traditional Name: 3-[4-(2-naphthylsulfonyl)piperazino]sulfonylbenzoic acid Formula: C21H20N2O6S2 MolecularWeight: 460.5233

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O6S2/c24-21(25)18-6-3-7-19(15-18)30(26,27)22-10-12-23(13-11-22)31(28,29)20-9-8-16-4-1-2-5-17(16)14-20/h1-9,14-15H,10-13H2,(H,24,25)