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

Systemtic Name: 2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-5-propyl-benzenesulfonic acid Openeye Name: 2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-5-propyl-benzenesulfonic acid CAS Name: 2-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazinyl]-5-propylbenzenesulfonic acid IUPAC Name: 2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-5-propylbenzenesulfonic acid Traditional Name: 5-propyl-2-(4-veratrylpiperazino)besylic acid Formula: C22H30N2O5S MolecularWeight: 434.549

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)N2CCN(CC2)CC3=CC(=C(C=C3)OC)OC)S(=O)(=O)O

Isomeric SMILES

CCCC1=CC(=C(C=C1)N2CCN(CC2)CC3=CC(=C(C=C3)OC)OC)S(=O)(=O)O

InChI

InChI=1S/C22H30N2O5S/c1-4-5-17-6-8-19(22(15-17)30(25,26)27)24-12-10-23(11-13-24)16-18-7-9-20(28-2)21(14-18)29-3/h6-9,14-15H,4-5,10-13,16H2,1-3H3,(H,25,26,27)