4-(4-phenylpiperazin-1-yl)benzenesulfonic acid

Systemtic Name: 4-(4-phenylpiperazin-1-yl)benzenesulfonic acid Openeye Name: 4-(4-phenylpiperazin-1-yl)benzenesulfonic acid CAS Name: 4-(4-phenyl-1-piperazinyl)benzenesulfonic acid IUPAC Name: 4-(4-phenylpiperazin-1-yl)benzenesulfonic acid Traditional Name: 4-(4-phenylpiperazino)besylic acid Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O3S/c19-22(20,21)16-8-6-15(7-9-16)18-12-10-17(11-13-18)14-4-2-1-3-5-14/h1-9H,10-13H2,(H,19,20,21)