4-[4-(4-methoxyphenyl)piperazin-1-yl]benzenesulfonic acid

Systemtic Name: 4-[4-(4-methoxyphenyl)piperazin-1-yl]benzenesulfonic acid Openeye Name: 4-[4-(4-methoxyphenyl)piperazin-1-yl]benzenesulfonic acid CAS Name: 4-[4-(4-methoxyphenyl)-1-piperazinyl]benzenesulfonic acid IUPAC Name: 4-[4-(4-methoxyphenyl)piperazin-1-yl]benzenesulfonic acid Traditional Name: 4-[4-(4-methoxyphenyl)piperazino]besylic acid Formula: C17H20N2O4S MolecularWeight: 348.4167

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)S(=O)(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C17H20N2O4S/c1-23-16-6-2-14(3-7-16)18-10-12-19(13-11-18)15-4-8-17(9-5-15)24(20,21)22/h2-9H,10-13H2,1H3,(H,20,21,22)