2-[2-morpholin-4-ylethyl-(4-pentylphenyl)sulfonyl-amino]-3-sulfanyl-propanamide

Systemtic Name: 2-[2-morpholin-4-ylethyl-(4-pentylphenyl)sulfonyl-amino]-3-sulfanyl-propanamide Openeye Name: 2-[2-morpholinoethyl-(4-pentylphenyl)sulfonyl-amino]-3-sulfanyl-propanamide CAS Name: 3-mercapto-2-[2-(4-morpholinyl)ethyl-(4-pentylphenyl)sulfonylamino]propanamide IUPAC Name: 2-[2-morpholin-4-ylethyl-(4-pentylphenyl)sulfonylamino]-3-sulfanylpropanamide Traditional Name: 2-[(4-amylphenyl)sulfonyl-(2-morpholinoethyl)amino]-3-mercapto-propionamide Formula: C20H33N3O4S2 MolecularWeight: 443.62372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33N3O4S2/c1-2-3-4-5-17-6-8-18(9-7-17)29(25,26)23(19(16-28)20(21)24)11-10-22-12-14-27-15-13-22/h6-9,19,28H,2-5,10-16H2,1H3,(H2,21,24)