4,5-dimethoxy-2-[[3-[1-(phenylmethyl)pyrazol-4-yl]phenyl]sulfonylamino]benzoic acid

Systemtic Name: 4,5-dimethoxy-2-[[3-[1-(phenylmethyl)pyrazol-4-yl]phenyl]sulfonylamino]benzoic acid Openeye Name: 2-[[3-(1-benzylpyrazol-4-yl)phenyl]sulfonylamino]-4,5-dimethoxy-benzoic acid CAS Name: 4,5-dimethoxy-2-[[3-[1-(phenylmethyl)-4-pyrazolyl]phenyl]sulfonylamino]benzoic acid IUPAC Name: 2-[[3-(1-benzylpyrazol-4-yl)phenyl]sulfonylamino]-4,5-dimethoxybenzoic acid Traditional Name: 2-[[3-(1-benzylpyrazol-4-yl)phenyl]sulfonylamino]-4,5-dimethoxy-benzoic acid Formula: C25H23N3O6S MolecularWeight: 493.53162

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)O)NS(=O)(=O)C2=CC=CC(=C2)C3=CN(N=C3)CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)O)NS(=O)(=O)C2=CC=CC(=C2)C3=CN(N=C3)CC4=CC=CC=C4)OC

InChI

InChI=1S/C25H23N3O6S/c1-33-23-12-21(25(29)30)22(13-24(23)34-2)27-35(31,32)20-10-6-9-18(11-20)19-14-26-28(16-19)15-17-7-4-3-5-8-17/h3-14,16,27H,15H2,1-2H3,(H,29,30)