7-[pyridin-3-ylsulfonyl-[(4-pyrimidin-2-ylphenyl)methyl]amino]heptanoic acid

Systemtic Name: 7-[pyridin-3-ylsulfonyl-[(4-pyrimidin-2-ylphenyl)methyl]amino]heptanoic acid Openeye Name: 7-[3-pyridylsulfonyl-[(4-pyrimidin-2-ylphenyl)methyl]amino]heptanoic acid CAS Name: 7-[3-pyridinylsulfonyl-[[4-(2-pyrimidinyl)phenyl]methyl]amino]heptanoic acid IUPAC Name: 7-[pyridin-3-ylsulfonyl-[(4-pyrimidin-2-ylphenyl)methyl]amino]heptanoic acid Traditional Name: 7-[3-pyridylsulfonyl-[4-(2-pyrimidyl)benzyl]amino]enanthic acid Formula: C23H26N4O4S MolecularWeight: 454.54194

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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)C3=NC=CC=N3

Isomeric SMILES

C1=CC(=CN=C1)S(=O)(=O)N(CCCCCCC(=O)O)CC2=CC=C(C=C2)C3=NC=CC=N3

InChI

InChI=1S/C23H26N4O4S/c28-22(29)8-3-1-2-4-16-27(32(30,31)21-7-5-13-24-17-21)18-19-9-11-20(12-10-19)23-25-14-6-15-26-23/h5-7,9-15,17H,1-4,8,16,18H2,(H,28,29)