7-[(4-pyrazol-1-ylphenyl)methyl-pyridin-2-ylsulfonyl-amino]heptanoic acid

Systemtic Name: 7-[(4-pyrazol-1-ylphenyl)methyl-pyridin-2-ylsulfonyl-amino]heptanoic acid Openeye Name: 7-[(4-pyrazol-1-ylphenyl)methyl-(2-pyridylsulfonyl)amino]heptanoic acid CAS Name: 7-[[4-(1-pyrazolyl)phenyl]methyl-(2-pyridinylsulfonyl)amino]heptanoic acid IUPAC Name: 7-[(4-pyrazol-1-ylphenyl)methyl-pyridin-2-ylsulfonylamino]heptanoic acid Traditional Name: 7-[(4-pyrazol-1-ylbenzyl)-(2-pyridylsulfonyl)amino]enanthic acid Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)S(=O)(=O)N(CCCCCCC(=O)O)CC2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

C1=CC=NC(=C1)S(=O)(=O)N(CCCCCCC(=O)O)CC2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C22H26N4O4S/c27-22(28)9-3-1-2-6-16-25(31(29,30)21-8-4-5-14-23-21)18-19-10-12-20(13-11-19)26-17-7-15-24-26/h4-5,7-8,10-15,17H,1-3,6,9,16,18H2,(H,27,28)