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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1CC2=CC(=C(C=C2)OC)OC)N3CCNCC3)S(=O)(=O)O

Isomeric SMILES

CCCC1=CC(=C(C=C1CC2=CC(=C(C=C2)OC)OC)N3CCNCC3)S(=O)(=O)O

InChI

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