2-[(4-phenyl-1,3-thiazol-2-yl)sulfonyl]octanoic acid

Systemtic Name: 2-[(4-phenyl-1,3-thiazol-2-yl)sulfonyl]octanoic acid Openeye Name: 2-(4-phenylthiazol-2-yl)sulfonyloctanoic acid CAS Name: 2-[(4-phenyl-2-thiazolyl)sulfonyl]octanoic acid IUPAC Name: 2-[(4-phenyl-1,3-thiazol-2-yl)sulfonyl]octanoic acid Traditional Name: 2-(4-phenylthiazol-2-yl)sulfonylcaprylic acid Formula: C17H21NO4S2 MolecularWeight: 367.48294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)S(=O)(=O)C1=NC(=CS1)C2=CC=CC=C2

Isomeric SMILES

CCCCCCC(C(=O)O)S(=O)(=O)C1=NC(=CS1)C2=CC=CC=C2

InChI

InChI=1S/C17H21NO4S2/c1-2-3-4-8-11-15(16(19)20)24(21,22)17-18-14(12-23-17)13-9-6-5-7-10-13/h5-7,9-10,12,15H,2-4,8,11H2,1H3,(H,19,20)