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

Systemtic Name: ethyl 2-[[4-cyclopentyl-5-(3-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[4-cyclopentyl-5-(3-morpholinosulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-cyclopentyl-5-[3-(4-morpholinylsulfonyl)phenyl]-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[4-cyclopentyl-5-(3-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-cyclopentyl-5-(3-morpholinosulfonylphenyl)-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C21H28N4O5S2 MolecularWeight: 480.60082

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(N1C2CCCC2)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CCOC(=O)CSC1=NN=C(N1C2CCCC2)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H28N4O5S2/c1-2-30-19(26)15-31-21-23-22-20(25(21)17-7-3-4-8-17)16-6-5-9-18(14-16)32(27,28)24-10-12-29-13-11-24/h5-6,9,14,17H,2-4,7-8,10-13,15H2,1H3