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

Systemtic Name: S-[2-[(4-butoxyphenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]propyl] ethanethioate Openeye Name: S-[2-[(4-butoxyphenyl)sulfonyl-(2-morpholinoethyl)amino]propyl] ethanethioate CAS Name: ethanethioic acid S-[2-[(4-butoxyphenyl)sulfonyl-[2-(4-morpholinyl)ethyl]amino]propyl] ester IUPAC Name: S-[2-[(4-butoxyphenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]propyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[(4-butoxyphenyl)sulfonyl-(2-morpholinoethyl)amino]propyl] ester Formula: C21H34N2O5S2 MolecularWeight: 458.63506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)N(CCN2CCOCC2)C(C)CSC(=O)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)N(CCN2CCOCC2)C(C)CSC(=O)C

InChI

InChI=1S/C21H34N2O5S2/c1-4-5-14-28-20-6-8-21(9-7-20)30(25,26)23(18(2)17-29-19(3)24)11-10-22-12-15-27-16-13-22/h6-9,18H,4-5,10-17H2,1-3H3