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

Systemtic Name: 5-methyl-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]benzenesulfonic acid Openeye Name: 5-methyl-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]benzenesulfonic acid CAS Name: 5-methyl-2-[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazinyl]benzenesulfonic acid IUPAC Name: 5-methyl-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]benzenesulfonic acid Traditional Name: 5-methyl-2-[4-(2,3,4-trimethoxybenzyl)piperazino]besylic acid Formula: C21H28N2O6S MolecularWeight: 436.52182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O6S/c1-15-5-7-17(19(13-15)30(24,25)26)23-11-9-22(10-12-23)14-16-6-8-18(27-2)21(29-4)20(16)28-3/h5-8,13H,9-12,14H2,1-4H3,(H,24,25,26)