2-[[4-cyclopentyl-5-(3-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[4-cyclopentyl-5-(3-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-cyclopentyl-5-(3-morpholinosulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-cyclopentyl-5-[3-(4-morpholinylsulfonyl)phenyl]-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-cyclopentyl-5-(3-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-cyclopentyl-5-(3-morpholinosulfonylphenyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C19H24N4O5S2 MolecularWeight: 452.54766

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=NN=C2SCC(=O)O)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C1CCC(C1)N2C(=NN=C2SCC(=O)O)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C19H24N4O5S2/c24-17(25)13-29-19-21-20-18(23(19)15-5-1-2-6-15)14-4-3-7-16(12-14)30(26,27)22-8-10-28-11-9-22/h3-4,7,12,15H,1-2,5-6,8-11,13H2,(H,24,25)