7-[pyridin-2-ylsulfonyl-[[4-(1,3-thiazol-2-yl)phenyl]methyl]amino]heptanoic acid

Systemtic Name: 7-[pyridin-2-ylsulfonyl-[[4-(1,3-thiazol-2-yl)phenyl]methyl]amino]heptanoic acid Openeye Name: 7-[2-pyridylsulfonyl-[(4-thiazol-2-ylphenyl)methyl]amino]heptanoic acid CAS Name: 7-[2-pyridinylsulfonyl-[[4-(2-thiazolyl)phenyl]methyl]amino]heptanoic acid IUPAC Name: 7-[pyridin-2-ylsulfonyl-[[4-(1,3-thiazol-2-yl)phenyl]methyl]amino]heptanoic acid Traditional Name: 7-[2-pyridylsulfonyl-(4-thiazol-2-ylbenzyl)amino]enanthic acid Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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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)C3=NC=CS3

Isomeric SMILES

C1=CC=NC(=C1)S(=O)(=O)N(CCCCCCC(=O)O)CC2=CC=C(C=C2)C3=NC=CS3

InChI

InChI=1S/C22H25N3O4S2/c26-21(27)8-3-1-2-6-15-25(31(28,29)20-7-4-5-13-23-20)17-18-9-11-19(12-10-18)22-24-14-16-30-22/h4-5,7,9-14,16H,1-3,6,8,15,17H2,(H,26,27)