5-tert-butyl-1,3-bis[2-isocyano-2-(4-methylphenyl)sulfonyl-ethyl]-2-methoxy-benzene

Systemtic Name: 5-tert-butyl-1,3-bis[2-isocyano-2-(4-methylphenyl)sulfonyl-ethyl]-2-methoxy-benzene Openeye Name: 5-tert-butyl-1,3-bis[2-isocyano-2-(p-tolylsulfonyl)ethyl]-2-methoxy-benzene CAS Name: 5-tert-butyl-1,3-bis[2-isocyano-2-(4-methylphenyl)sulfonylethyl]-2-methoxybenzene IUPAC Name: 5-tert-butyl-1,3-bis[2-isocyano-2-(4-methylphenyl)sulfonylethyl]-2-methoxybenzene Traditional Name: 5-tert-butyl-1,3-bis(2-isocyano-2-tosyl-ethyl)-2-methoxy-benzene Formula: C31H34N2O5S2 MolecularWeight: 578.74206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CC2=CC(=CC(=C2OC)CC([N+]#[C-])S(=O)(=O)C3=CC=C(C=C3)C)C(C)(C)C)[N+]#[C-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CC2=CC(=CC(=C2OC)CC([N+]#[C-])S(=O)(=O)C3=CC=C(C=C3)C)C(C)(C)C)[N+]#[C-]

InChI

InChI=1S/C31H34N2O5S2/c1-21-9-13-26(14-10-21)39(34,35)28(32-6)19-23-17-25(31(3,4)5)18-24(30(23)38-8)20-29(33-7)40(36,37)27-15-11-22(2)12-16-27/h9-18,28-29H,19-20H2,1-5,8H3