1-[2,7-diisocyano-7-(4-methylphenyl)sulfonyl-1,7-diphenyl-heptan-2-yl]sulfonyl-4-methyl-benzene

Systemtic Name: 1-[2,7-diisocyano-7-(4-methylphenyl)sulfonyl-1,7-diphenyl-heptan-2-yl]sulfonyl-4-methyl-benzene Openeye Name: 1-[1-benzyl-1,6-diisocyano-6-phenyl-6-(p-tolylsulfonyl)hexyl]sulfonyl-4-methyl-benzene CAS Name: 1-[2,7-diisocyano-7-(4-methylphenyl)sulfonyl-1,7-diphenylheptan-2-yl]sulfonyl-4-methylbenzene IUPAC Name: 1-[2,7-diisocyano-7-(4-methylphenyl)sulfonyl-1,7-diphenylheptan-2-yl]sulfonyl-4-methylbenzene Traditional Name: 1-(1-benzyl-1,6-diisocyano-6-phenyl-6-tosyl-hexyl)sulfonyl-4-methyl-benzene Formula: C35H34N2O4S2 MolecularWeight: 610.78546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CCCCC(C2=CC=CC=C2)([N+]#[C-])S(=O)(=O)C3=CC=C(C=C3)C)(CC4=CC=CC=C4)[N+]#[C-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CCCCC(C2=CC=CC=C2)([N+]#[C-])S(=O)(=O)C3=CC=C(C=C3)C)(CC4=CC=CC=C4)[N+]#[C-]

InChI

InChI=1S/C35H34N2O4S2/c1-28-17-21-32(22-18-28)42(38,39)34(36-3,27-30-13-7-5-8-14-30)25-11-12-26-35(37-4,31-15-9-6-10-16-31)43(40,41)33-23-19-29(2)20-24-33/h5-10,13-24H,11-12,25-27H2,1-2H3