(2S,3R)-N,N-diethyl-3-[(4-methylphenyl)sulfonylamino]-2-methylsulfanyl-3-phenyl-propanamide

Systemtic Name: (2S,3R)-N,N-diethyl-3-[(4-methylphenyl)sulfonylamino]-2-methylsulfanyl-3-phenyl-propanamide Openeye Name: (2S,3R)-N,N-diethyl-2-methylsulfanyl-3-phenyl-3-(p-tolylsulfonylamino)propanamide CAS Name: (2S,3R)-N,N-diethyl-3-[(4-methylphenyl)sulfonylamino]-2-(methylthio)-3-phenylpropanamide IUPAC Name: (2S,3R)-N,N-diethyl-3-[(4-methylphenyl)sulfonylamino]-2-methylsulfanyl-3-phenylpropanamide Traditional Name: (2S,3R)-N,N-diethyl-2-(methylthio)-3-phenyl-3-(tosylamino)propionamide Formula: C21H28N2O3S2 MolecularWeight: 420.58862

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C(C(C1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C)SC

Isomeric SMILES

CCN(CC)C(=O)[C@H]([C@@H](C1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C)SC

InChI

InChI=1S/C21H28N2O3S2/c1-5-23(6-2)21(24)20(27-4)19(17-10-8-7-9-11-17)22-28(25,26)18-14-12-16(3)13-15-18/h7-15,19-20,22H,5-6H2,1-4H3/t19-,20+/m1/s1