[(2S)-2-[bis(ethylsulfanyl)methyl]pyrrolidin-1-yl]-[4-(8-bromanyloctoxy)-5-methoxy-2-nitro-phenyl]methanone

Systemtic Name: [(2S)-2-[bis(ethylsulfanyl)methyl]pyrrolidin-1-yl]-[4-(8-bromanyloctoxy)-5-methoxy-2-nitro-phenyl]methanone Openeye Name: [(2S)-2-[bis(ethylsulfanyl)methyl]pyrrolidin-1-yl]-[4-(8-bromooctoxy)-5-methoxy-2-nitro-phenyl]methanone CAS Name: [(2S)-2-[bis(ethylthio)methyl]-1-pyrrolidinyl]-[4-(8-bromooctoxy)-5-methoxy-2-nitrophenyl]methanone IUPAC Name: [(2S)-2-[bis(ethylsulfanyl)methyl]pyrrolidin-1-yl]-[4-(8-bromooctoxy)-5-methoxy-2-nitrophenyl]methanone Traditional Name: [(2S)-2-[bis(ethylthio)methyl]pyrrolidino]-[4-(8-bromooctoxy)-5-methoxy-2-nitro-phenyl]methanone Formula: C25H39BrN2O5S2 MolecularWeight: 591.62156

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(C1CCCN1C(=O)C2=CC(=C(C=C2[N+](=O)[O-])OCCCCCCCCBr)OC)SCC

Isomeric SMILES

CCSC([C@@H]1CCCN1C(=O)C2=CC(=C(C=C2[N+](=O)[O-])OCCCCCCCCBr)OC)SCC

InChI

InChI=1S/C25H39BrN2O5S2/c1-4-34-25(35-5-2)20-13-12-15-27(20)24(29)19-17-22(32-3)23(18-21(19)28(30)31)33-16-11-9-7-6-8-10-14-26/h17-18,20,25H,4-16H2,1-3H3/t20-/m0/s1