5-phenyl-2-piperazin-1-yl-benzenesulfonic acid

Systemtic Name: 5-phenyl-2-piperazin-1-yl-benzenesulfonic acid Openeye Name: 5-phenyl-2-piperazin-1-yl-benzenesulfonic acid CAS Name: 5-phenyl-2-(1-piperazinyl)benzenesulfonic acid IUPAC Name: 5-phenyl-2-piperazin-1-ylbenzenesulfonic acid Traditional Name: 5-phenyl-2-piperazino-besylic acid Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C=C(C=C2)C3=CC=CC=C3)S(=O)(=O)O

Isomeric SMILES

C1CN(CCN1)C2=C(C=C(C=C2)C3=CC=CC=C3)S(=O)(=O)O

InChI

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