5-[5-benzamido-3-(4-benzamidophenyl)pyrazol-1-yl]-2-phenoxy-benzenesulfonic acid

Systemtic Name: 5-[5-benzamido-3-(4-benzamidophenyl)pyrazol-1-yl]-2-phenoxy-benzenesulfonic acid Openeye Name: 5-[5-benzamido-3-(4-benzamidophenyl)pyrazol-1-yl]-2-phenoxy-benzenesulfonic acid CAS Name: 5-[5-benzamido-3-(4-benzamidophenyl)-1-pyrazolyl]-2-phenoxybenzenesulfonic acid IUPAC Name: 5-[5-benzamido-3-(4-benzamidophenyl)pyrazol-1-yl]-2-phenoxybenzenesulfonic acid Traditional Name: 5-[5-benzamido-3-(4-benzamidophenyl)pyrazol-1-yl]-2-phenoxy-besylic acid Formula: C35H26N4O6S MolecularWeight: 630.66914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C3=NN(C(=C3)NC(=O)C4=CC=CC=C4)C5=CC(=C(C=C5)OC6=CC=CC=C6)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C3=NN(C(=C3)NC(=O)C4=CC=CC=C4)C5=CC(=C(C=C5)OC6=CC=CC=C6)S(=O)(=O)O

InChI

InChI=1S/C35H26N4O6S/c40-34(25-10-4-1-5-11-25)36-27-18-16-24(17-19-27)30-23-33(37-35(41)26-12-6-2-7-13-26)39(38-30)28-20-21-31(32(22-28)46(42,43)44)45-29-14-8-3-9-15-29/h1-23H,(H,36,40)(H,37,41)(H,42,43,44)