(2S,4S)-1-(2,2-diphenylethyl)-N-methyl-4-[(4-methylsulfanylphenyl)methylamino]pyrrolidine-2-carboxamide

Systemtic Name: (2S,4S)-1-(2,2-diphenylethyl)-N-methyl-4-[(4-methylsulfanylphenyl)methylamino]pyrrolidine-2-carboxamide Openeye Name: (2S,4S)-1-(2,2-diphenylethyl)-N-methyl-4-[(4-methylsulfanylphenyl)methylamino]pyrrolidine-2-carboxamide CAS Name: (2S,4S)-1-(2,2-diphenylethyl)-N-methyl-4-[[4-(methylthio)phenyl]methylamino]-2-pyrrolidinecarboxamide IUPAC Name: (2S,4S)-1-(2,2-diphenylethyl)-N-methyl-4-[(4-methylsulfanylphenyl)methylamino]pyrrolidine-2-carboxamide Traditional Name: (2S,4S)-1-(2,2-diphenylethyl)-N-methyl-4-[[4-(methylthio)benzyl]amino]pyrrolidine-2-carboxamide Formula: C28H33N3OS MolecularWeight: 459.64612

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CC(CN1CC(C2=CC=CC=C2)C3=CC=CC=C3)NCC4=CC=C(C=C4)SC

Isomeric SMILES

CNC(=O)[C@@H]1C[C@@H](CN1CC(C2=CC=CC=C2)C3=CC=CC=C3)NCC4=CC=C(C=C4)SC

InChI

InChI=1S/C28H33N3OS/c1-29-28(32)27-17-24(30-18-21-13-15-25(33-2)16-14-21)19-31(27)20-26(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-16,24,26-27,30H,17-20H2,1-2H3,(H,29,32)/t24-,27-/m0/s1