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

Systemtic Name: 5-propyl-2-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]benzenesulfonic acid Openeye Name: 5-propyl-2-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]benzenesulfonic acid CAS Name: 5-propyl-2-[4-[(3,4,5-trimethoxyphenyl)methyl]-1-piperazinyl]benzenesulfonic acid IUPAC Name: 5-propyl-2-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]benzenesulfonic acid Traditional Name: 5-propyl-2-[4-(3,4,5-trimethoxybenzyl)piperazino]besylic acid Formula: C23H32N2O6S MolecularWeight: 464.57498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N2O6S/c1-5-6-17-7-8-19(22(15-17)32(26,27)28)25-11-9-24(10-12-25)16-18-13-20(29-2)23(31-4)21(14-18)30-3/h7-8,13-15H,5-6,9-12,16H2,1-4H3,(H,26,27,28)