(2S)-N-[2-[2,4-bis(bromanyl)-5-methoxy-phenyl]-2-phenylsulfanyl-ethyl]-1-methyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[2-[2,4-bis(bromanyl)-5-methoxy-phenyl]-2-phenylsulfanyl-ethyl]-1-methyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[2-(2,4-dibromo-5-methoxy-phenyl)-2-phenylsulfanyl-ethyl]-1-methyl-pyrrolidine-2-carboxamide CAS Name: (2S)-N-[2-(2,4-dibromo-5-methoxyphenyl)-2-(phenylthio)ethyl]-1-methyl-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[2-(2,4-dibromo-5-methoxyphenyl)-2-phenylsulfanylethyl]-1-methylpyrrolidine-2-carboxamide Traditional Name: (2S)-N-[2-(2,4-dibromo-5-methoxy-phenyl)-2-(phenylthio)ethyl]-1-methyl-pyrrolidine-2-carboxamide Formula: C21H24Br2N2O2S MolecularWeight: 528.30046

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC1C(=O)NCC(C2=CC(=C(C=C2Br)Br)OC)SC3=CC=CC=C3

Isomeric SMILES

CN1CCC[C@H]1C(=O)NCC(C2=CC(=C(C=C2Br)Br)OC)SC3=CC=CC=C3

InChI

InChI=1S/C21H24Br2N2O2S/c1-25-10-6-9-18(25)21(26)24-13-20(28-14-7-4-3-5-8-14)15-11-19(27-2)17(23)12-16(15)22/h3-5,7-8,11-12,18,20H,6,9-10,13H2,1-2H3,(H,24,26)/t18-,20?/m0/s1