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

Systemtic Name: 2-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-5-propyl-benzenesulfonic acid Openeye Name: 2-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-5-propyl-benzenesulfonic acid CAS Name: 2-[4-(3,4-dimethoxyphenyl)-1-piperazinyl]-5-propylbenzenesulfonic acid IUPAC Name: 2-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-5-propylbenzenesulfonic acid Traditional Name: 2-[4-(3,4-dimethoxyphenyl)piperazino]-5-propyl-besylic acid Formula: C21H28N2O5S MolecularWeight: 420.52242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O5S/c1-4-5-16-6-8-18(21(14-16)29(24,25)26)23-12-10-22(11-13-23)17-7-9-19(27-2)20(15-17)28-3/h6-9,14-15H,4-5,10-13H2,1-3H3,(H,24,25,26)