7-[(4-pyrazol-1-ylphenyl)methyl-pyridin-3-ylsulfonyl-amino]heptanoic acid

Systemtic Name: 7-[(4-pyrazol-1-ylphenyl)methyl-pyridin-3-ylsulfonyl-amino]heptanoic acid Openeye Name: 7-[(4-pyrazol-1-ylphenyl)methyl-(3-pyridylsulfonyl)amino]heptanoic acid CAS Name: 7-[[4-(1-pyrazolyl)phenyl]methyl-(3-pyridinylsulfonyl)amino]heptanoic acid IUPAC Name: 7-[(4-pyrazol-1-ylphenyl)methyl-pyridin-3-ylsulfonylamino]heptanoic acid Traditional Name: 7-[(4-pyrazol-1-ylbenzyl)-(3-pyridylsulfonyl)amino]enanthic acid Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O4S/c27-22(28)8-3-1-2-4-15-25(31(29,30)21-7-5-13-23-17-21)18-19-9-11-20(12-10-19)26-16-6-14-24-26/h5-7,9-14,16-17H,1-4,8,15,18H2,(H,27,28)