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

Systemtic Name: 7-[pyridin-3-ylsulfonyl-[[4-(1,3-thiazol-2-yl)phenyl]methyl]amino]heptanoic acid Openeye Name: 7-[3-pyridylsulfonyl-[(4-thiazol-2-ylphenyl)methyl]amino]heptanoic acid CAS Name: 7-[3-pyridinylsulfonyl-[[4-(2-thiazolyl)phenyl]methyl]amino]heptanoic acid IUPAC Name: 7-[pyridin-3-ylsulfonyl-[[4-(1,3-thiazol-2-yl)phenyl]methyl]amino]heptanoic acid Traditional Name: 7-[3-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(=CN=C1)S(=O)(=O)N(CCCCCCC(=O)O)CC2=CC=C(C=C2)C3=NC=CS3

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O4S2/c26-21(27)7-3-1-2-4-14-25(31(28,29)20-6-5-12-23-16-20)17-18-8-10-19(11-9-18)22-24-13-15-30-22/h5-6,8-13,15-16H,1-4,7,14,17H2,(H,26,27)