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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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