1-[1,3-bis(4-chlorophenyl)-2-isocyano-propan-2-yl]sulfonyl-4-methyl-benzene

Systemtic Name: 1-[1,3-bis(4-chlorophenyl)-2-isocyano-propan-2-yl]sulfonyl-4-methyl-benzene Openeye Name: 1-[2-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-1-isocyano-ethyl]sulfonyl-4-methyl-benzene CAS Name: 1-[1,3-bis(4-chlorophenyl)-2-isocyanopropan-2-yl]sulfonyl-4-methylbenzene IUPAC Name: 1-[1,3-bis(4-chlorophenyl)-2-isocyanopropan-2-yl]sulfonyl-4-methylbenzene Traditional Name: 1-[1-(4-chlorobenzyl)-2-(4-chlorophenyl)-1-isocyano-ethyl]sulfonyl-4-methyl-benzene Formula: C23H19Cl2NO2S MolecularWeight: 444.37346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CC2=CC=C(C=C2)Cl)(CC3=CC=C(C=C3)Cl)[N+]#[C-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CC2=CC=C(C=C2)Cl)(CC3=CC=C(C=C3)Cl)[N+]#[C-]

InChI

InChI=1S/C23H19Cl2NO2S/c1-17-3-13-22(14-4-17)29(27,28)23(26-2,15-18-5-9-20(24)10-6-18)16-19-7-11-21(25)12-8-19/h3-14H,15-16H2,1H3