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

Systemtic Name: 3,4-dimethyl-5-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]sulfonyl-benzoic acid Openeye Name: 3,4-dimethyl-5-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]sulfonyl-benzoic acid CAS Name: 3,4-dimethyl-5-[[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazinyl]sulfonyl]benzoic acid IUPAC Name: 3,4-dimethyl-5-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]sulfonylbenzoic acid Traditional Name: 3,4-dimethyl-5-[4-(2,3,4-trimethoxybenzyl)piperazino]sulfonyl-benzoic acid Formula: C23H30N2O7S MolecularWeight: 478.5585

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O7S/c1-15-12-18(23(26)27)13-20(16(15)2)33(28,29)25-10-8-24(9-11-25)14-17-6-7-19(30-3)22(32-5)21(17)31-4/h6-7,12-13H,8-11,14H2,1-5H3,(H,26,27)