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

Systemtic Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-3-sulfanyl-propanamide Openeye Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-(2-morpholinoethyl)amino]-3-sulfanyl-propanamide CAS Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-[2-(4-morpholinyl)ethyl]amino]-3-mercaptopropanamide IUPAC Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-3-sulfanylpropanamide Traditional Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-(2-morpholinoethyl)amino]-3-mercapto-propionamide Formula: C19H27N3O5S2 MolecularWeight: 441.56478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N(CCN2CCOCC2)C(CS)C(=O)N

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N(CCN2CCOCC2)C(CS)C(=O)N

InChI

InChI=1S/C19H27N3O5S2/c1-2-3-12-27-16-4-6-17(7-5-16)29(24,25)22(18(15-28)19(20)23)9-8-21-10-13-26-14-11-21/h4-7,18,28H,8-15H2,1H3,(H2,20,23)