N-(12-methyltridecylsulfanylmethyl)-4-[4-(12-methyltridecylsulfanylmethylamino)phenyl]sulfonyl-aniline

Systemtic Name: N-(12-methyltridecylsulfanylmethyl)-4-[4-(12-methyltridecylsulfanylmethylamino)phenyl]sulfonyl-aniline Openeye Name: N-(12-methyltridecylsulfanylmethyl)-4-[4-(12-methyltridecylsulfanylmethylamino)phenyl]sulfonyl-aniline CAS Name: N-[(12-methyltridecylthio)methyl]-4-[4-[(12-methyltridecylthio)methylamino]phenyl]sulfonylaniline IUPAC Name: N-(12-methyltridecylsulfanylmethyl)-4-[4-(12-methyltridecylsulfanylmethylamino)phenyl]sulfonylaniline Traditional Name: (12-methyltridecylthio)methyl-[4-[4-[(12-methyltridecylthio)methylamino]phenyl]sulfonylphenyl]amine Formula: C42H72N2O2S3 MolecularWeight: 733.22828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCSCNC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)NCSCCCCCCCCCCCC(C)C

Isomeric SMILES

CC(C)CCCCCCCCCCCSCNC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)NCSCCCCCCCCCCCC(C)C

InChI

InChI=1S/C42H72N2O2S3/c1-37(2)23-19-15-11-7-5-9-13-17-21-33-47-35-43-39-25-29-41(30-26-39)49(45,46)42-31-27-40(28-32-42)44-36-48-34-22-18-14-10-6-8-12-16-20-24-38(3)4/h25-32,37-38,43-44H,5-24,33-36H2,1-4H3