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

Systemtic Name: 2-methyl-5-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]sulfonyl-benzoic acid Openeye Name: 2-methyl-5-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]sulfonyl-benzoic acid CAS Name: 2-methyl-5-[[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazinyl]sulfonyl]benzoic acid IUPAC Name: 2-methyl-5-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]sulfonylbenzoic acid Traditional Name: 2-methyl-5-[4-(2,3,4-trimethoxybenzyl)piperazino]sulfonyl-benzoic acid Formula: C22H28N2O7S MolecularWeight: 464.53192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O7S/c1-15-5-7-17(13-18(15)22(25)26)32(27,28)24-11-9-23(10-12-24)14-16-6-8-19(29-2)21(31-4)20(16)30-3/h5-8,13H,9-12,14H2,1-4H3,(H,25,26)