N1-(3-chloranyl-2-methyl-phenyl)-N3-[(6-dodecylsulfanylpyridin-3-yl)methyl]-4-oxidanyl-benzene-1,3-disulfonamide

Systemtic Name: N1-(3-chloranyl-2-methyl-phenyl)-N3-[(6-dodecylsulfanylpyridin-3-yl)methyl]-4-oxidanyl-benzene-1,3-disulfonamide Openeye Name: N1-(3-chloro-2-methyl-phenyl)-N3-[(6-dodecylsulfanyl-3-pyridyl)methyl]-4-hydroxy-benzene-1,3-disulfonamide CAS Name: N1-(3-chloro-2-methylphenyl)-N3-[[6-(dodecylthio)-3-pyridinyl]methyl]-4-hydroxybenzene-1,3-disulfonamide IUPAC Name: 1-N-(3-chloro-2-methylphenyl)-3-N-[(6-dodecylsulfanylpyridin-3-yl)methyl]-4-hydroxybenzene-1,3-disulfonamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-4-hydroxy-N'-[[6-(laurylthio)-3-pyridyl]methyl]benzene-1,3-disulfonamide Formula: C31H42ClN3O5S3 MolecularWeight: 668.33028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=NC=C(C=C1)CNS(=O)(=O)C2=C(C=CC(=C2)S(=O)(=O)NC3=C(C(=CC=C3)Cl)C)O

Isomeric SMILES

CCCCCCCCCCCCSC1=NC=C(C=C1)CNS(=O)(=O)C2=C(C=CC(=C2)S(=O)(=O)NC3=C(C(=CC=C3)Cl)C)O

InChI

InChI=1S/C31H42ClN3O5S3/c1-3-4-5-6-7-8-9-10-11-12-20-41-31-19-16-25(22-33-31)23-34-43(39,40)30-21-26(17-18-29(30)36)42(37,38)35-28-15-13-14-27(32)24(28)2/h13-19,21-22,34-36H,3-12,20,23H2,1-2H3