(3-morpholin-4-ylsulfonylphenyl)methyl 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanoate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanoate Openeye Name: (3-morpholinosulfonylphenyl)methyl 2-indan-5-ylsulfanylacetate CAS Name: 2-(2,3-dihydro-1H-inden-5-ylthio)acetic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate Traditional Name: 2-(indan-5-ylthio)acetic acid (3-morpholinosulfonylbenzyl) ester Formula: C22H25NO5S2 MolecularWeight: 447.5676

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)SCC(=O)OCC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)SCC(=O)OCC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H25NO5S2/c24-22(16-29-20-8-7-18-4-2-5-19(18)14-20)28-15-17-3-1-6-21(13-17)30(25,26)23-9-11-27-12-10-23/h1,3,6-8,13-14H,2,4-5,9-12,15-16H2