3-(4-phenylpiperazin-1-yl)sulfonylbenzoic acid

Systemtic Name: 3-(4-phenylpiperazin-1-yl)sulfonylbenzoic acid Openeye Name: 3-(4-phenylpiperazin-1-yl)sulfonylbenzoic acid CAS Name: 3-[(4-phenyl-1-piperazinyl)sulfonyl]benzoic acid IUPAC Name: 3-(4-phenylpiperazin-1-yl)sulfonylbenzoic acid Traditional Name: 3-(4-phenylpiperazino)sulfonylbenzoic acid Formula: C17H18N2O4S MolecularWeight: 346.40082

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C17H18N2O4S/c20-17(21)14-5-4-8-16(13-14)24(22,23)19-11-9-18(10-12-19)15-6-2-1-3-7-15/h1-8,13H,9-12H2,(H,20,21)