S-[2-[2-morpholin-4-ylethyl-(4-phenylsulfanylphenyl)sulfonyl-amino]propyl] 2,2-dimethylpropanethioate

Systemtic Name: S-[2-[2-morpholin-4-ylethyl-(4-phenylsulfanylphenyl)sulfonyl-amino]propyl] 2,2-dimethylpropanethioate Openeye Name: S-[2-[2-morpholinoethyl-(4-phenylsulfanylphenyl)sulfonyl-amino]propyl] 2,2-dimethylpropanethioate CAS Name: 2,2-dimethylpropanethioic acid S-[2-[2-(4-morpholinyl)ethyl-[4-(phenylthio)phenyl]sulfonylamino]propyl] ester IUPAC Name: S-[2-[2-morpholin-4-ylethyl-(4-phenylsulfanylphenyl)sulfonylamino]propyl] 2,2-dimethylpropanethioate Traditional Name: 2,2-dimethylpropanethioic acid S-[2-[2-morpholinoethyl-[4-(phenylthio)phenyl]sulfonyl-amino]propyl] ester Formula: C26H36N2O4S3 MolecularWeight: 536.77004

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C(C)(C)C)N(CCN1CCOCC1)S(=O)(=O)C2=CC=C(C=C2)SC3=CC=CC=C3

Isomeric SMILES

CC(CSC(=O)C(C)(C)C)N(CCN1CCOCC1)S(=O)(=O)C2=CC=C(C=C2)SC3=CC=CC=C3

InChI

InChI=1S/C26H36N2O4S3/c1-21(20-33-25(29)26(2,3)4)28(15-14-27-16-18-32-19-17-27)35(30,31)24-12-10-23(11-13-24)34-22-8-6-5-7-9-22/h5-13,21H,14-20H2,1-4H3