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

Systemtic Name: 3-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]sulfonylbenzoic acid Openeye Name: 3-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]sulfonylbenzoic acid CAS Name: 3-[[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazinyl]sulfonyl]benzoic acid IUPAC Name: 3-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]sulfonylbenzoic acid Traditional Name: 3-[4-(2,3,4-trimethoxybenzyl)piperazino]sulfonylbenzoic acid Formula: C21H26N2O7S MolecularWeight: 450.50534

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(=O)O)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(=O)O)OC)OC

InChI

InChI=1S/C21H26N2O7S/c1-28-18-8-7-16(19(29-2)20(18)30-3)14-22-9-11-23(12-10-22)31(26,27)17-6-4-5-15(13-17)21(24)25/h4-8,13H,9-12,14H2,1-3H3,(H,24,25)