hexadecyl 2-[[[4-[4-[[(1-hexadecoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl)amino]methylamino]phenyl]sulfonylphenyl]amino]methylamino]-4-methylsulfanyl-butanoate

Systemtic Name: hexadecyl 2-[[[4-[4-[[(1-hexadecoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl)amino]methylamino]phenyl]sulfonylphenyl]amino]methylamino]-4-methylsulfanyl-butanoate Openeye Name: hexadecyl 2-[[4-[4-[[(1-hexadecoxycarbonyl-3-methylsulfanyl-propyl)amino]methylamino]phenyl]sulfonylanilino]methylamino]-4-methylsulfanyl-butanoate CAS Name: 2-[[4-[4-[[[1-hexadecoxy-4-(methylthio)-1-oxobutan-2-yl]amino]methylamino]phenyl]sulfonylanilino]methylamino]-4-(methylthio)butanoic acid hexadecyl ester IUPAC Name: hexadecyl 2-[[4-[4-[[(1-hexadecoxy-4-methylsulfanyl-1-oxobutan-2-yl)amino]methylamino]phenyl]sulfonylanilino]methylamino]-4-methylsulfanylbutanoate Traditional Name: 2-[[4-[4-[[[1-cetyloxycarbonyl-3-(methylthio)propyl]amino]methylamino]phenyl]sulfonylanilino]methylamino]-4-(methylthio)butyric acid cetyl ester Formula: C56H98N4O6S3 MolecularWeight: 1019.59552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C(CCSC)NCNC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)NCNC(CCSC)C(=O)OCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C(CCSC)NCNC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)NCNC(CCSC)C(=O)OCCCCCCCCCCCCCCCC

InChI

InChI=1S/C56H98N4O6S3/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-43-65-55(61)53(41-45-67-3)59-47-57-49-33-37-51(38-34-49)69(63,64)52-39-35-50(36-40-52)58-48-60-54(42-46-68-4)56(62)66-44-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h33-40,53-54,57-60H,5-32,41-48H2,1-4H3