5-propyl-2-[4-(2,3,4-trimethoxyphenyl)piperazin-1-yl]benzenesulfonic acid

Systemtic Name: 5-propyl-2-[4-(2,3,4-trimethoxyphenyl)piperazin-1-yl]benzenesulfonic acid Openeye Name: 5-propyl-2-[4-(2,3,4-trimethoxyphenyl)piperazin-1-yl]benzenesulfonic acid CAS Name: 5-propyl-2-[4-(2,3,4-trimethoxyphenyl)-1-piperazinyl]benzenesulfonic acid IUPAC Name: 5-propyl-2-[4-(2,3,4-trimethoxyphenyl)piperazin-1-yl]benzenesulfonic acid Traditional Name: 5-propyl-2-[4-(2,3,4-trimethoxyphenyl)piperazino]besylic acid Formula: C22H30N2O6S MolecularWeight: 450.5484

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)N2CCN(CC2)C3=C(C(=C(C=C3)OC)OC)OC)S(=O)(=O)O

Isomeric SMILES

CCCC1=CC(=C(C=C1)N2CCN(CC2)C3=C(C(=C(C=C3)OC)OC)OC)S(=O)(=O)O

InChI

InChI=1S/C22H30N2O6S/c1-5-6-16-7-8-17(20(15-16)31(25,26)27)23-11-13-24(14-12-23)18-9-10-19(28-2)22(30-4)21(18)29-3/h7-10,15H,5-6,11-14H2,1-4H3,(H,25,26,27)