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

Systemtic Name: 2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-5-methyl-benzenesulfonic acid Openeye Name: 2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-5-methyl-benzenesulfonic acid CAS Name: 2-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazinyl]-5-methylbenzenesulfonic acid IUPAC Name: 2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-5-methylbenzenesulfonic acid Traditional Name: 5-methyl-2-(4-veratrylpiperazino)besylic acid Formula: C20H26N2O5S MolecularWeight: 406.49584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2CCN(CC2)CC3=CC(=C(C=C3)OC)OC)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)N2CCN(CC2)CC3=CC(=C(C=C3)OC)OC)S(=O)(=O)O

InChI

InChI=1S/C20H26N2O5S/c1-15-4-6-17(20(12-15)28(23,24)25)22-10-8-21(9-11-22)14-16-5-7-18(26-2)19(13-16)27-3/h4-7,12-13H,8-11,14H2,1-3H3,(H,23,24,25)