2-methyl-5-morpholin-4-yl-3-(4-phenylsulfanylphenyl)sulfonyl-pentane-1-thiol

Systemtic Name: 2-methyl-5-morpholin-4-yl-3-(4-phenylsulfanylphenyl)sulfonyl-pentane-1-thiol Openeye Name: 2-methyl-5-morpholino-3-(4-phenylsulfanylphenyl)sulfonyl-pentane-1-thiol CAS Name: 2-methyl-5-(4-morpholinyl)-3-[4-(phenylthio)phenyl]sulfonyl-1-pentanethiol IUPAC Name: 2-methyl-5-morpholin-4-yl-3-(4-phenylsulfanylphenyl)sulfonylpentane-1-thiol Traditional Name: 2-methyl-5-morpholino-3-[4-(phenylthio)phenyl]sulfonyl-pentane-1-thiol Formula: C22H29NO3S3 MolecularWeight: 451.66556

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(CCN1CCOCC1)S(=O)(=O)C2=CC=C(C=C2)SC3=CC=CC=C3

Isomeric SMILES

CC(CS)C(CCN1CCOCC1)S(=O)(=O)C2=CC=C(C=C2)SC3=CC=CC=C3

InChI

InChI=1S/C22H29NO3S3/c1-18(17-27)22(11-12-23-13-15-26-16-14-23)29(24,25)21-9-7-20(8-10-21)28-19-5-3-2-4-6-19/h2-10,18,22,27H,11-17H2,1H3