S-[2-[2-morpholin-4-ylethyl-(4-pentylphenyl)sulfonyl-amino]propyl] ethanethioate

Systemtic Name: S-[2-[2-morpholin-4-ylethyl-(4-pentylphenyl)sulfonyl-amino]propyl] ethanethioate Openeye Name: S-[2-[2-morpholinoethyl-(4-pentylphenyl)sulfonyl-amino]propyl] ethanethioate CAS Name: ethanethioic acid S-[2-[2-(4-morpholinyl)ethyl-(4-pentylphenyl)sulfonylamino]propyl] ester IUPAC Name: S-[2-[2-morpholin-4-ylethyl-(4-pentylphenyl)sulfonylamino]propyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[(4-amylphenyl)sulfonyl-(2-morpholinoethyl)amino]propyl] ester Formula: C22H36N2O4S2 MolecularWeight: 456.66224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)S(=O)(=O)N(CCN2CCOCC2)C(C)CSC(=O)C

Isomeric SMILES

CCCCCC1=CC=C(C=C1)S(=O)(=O)N(CCN2CCOCC2)C(C)CSC(=O)C

InChI

InChI=1S/C22H36N2O4S2/c1-4-5-6-7-21-8-10-22(11-9-21)30(26,27)24(19(2)18-29-20(3)25)13-12-23-14-16-28-17-15-23/h8-11,19H,4-7,12-18H2,1-3H3