(1S,4R,8R)-4-(4-methylphenyl)sulfanyl-2-(4-methylphenyl)sulfonyl-3-oxidanylidene-2-azabicyclo[2.2.2]oct-5-ene-8-carbaldehyde

Systemtic Name: (1S,4R,8R)-4-(4-methylphenyl)sulfanyl-2-(4-methylphenyl)sulfonyl-3-oxidanylidene-2-azabicyclo[2.2.2]oct-5-ene-8-carbaldehyde Openeye Name: (1S,4R,8R)-3-oxo-4-(p-tolylsulfanyl)-2-(p-tolylsulfonyl)-2-azabicyclo[2.2.2]oct-5-ene-8-carbaldehyde CAS Name: (1S,4R,8R)-2-(4-methylphenyl)sulfonyl-4-[(4-methylphenyl)thio]-3-oxo-2-azabicyclo[2.2.2]oct-5-ene-8-carboxaldehyde IUPAC Name: (1S,4R,8R)-4-(4-methylphenyl)sulfanyl-2-(4-methylphenyl)sulfonyl-3-oxo-2-azabicyclo[2.2.2]oct-5-ene-8-carbaldehyde Traditional Name: (1S,4R,8R)-3-keto-4-(p-tolylthio)-2-tosyl-2-azabicyclo[2.2.2]oct-5-ene-8-carbaldehyde Formula: C22H21NO4S2 MolecularWeight: 427.53644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC23C=CC(CC2C=O)N(C3=O)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S[C@]23C=C[C@H](C[C@@H]2C=O)N(C3=O)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C22H21NO4S2/c1-15-3-7-19(8-4-15)28-22-12-11-18(13-17(22)14-24)23(21(22)25)29(26,27)20-9-5-16(2)6-10-20/h3-12,14,17-18H,13H2,1-2H3/t17-,18-,22-/m1/s1