6-(4-bromophenyl)-7-cyclopropyl-3-(4-methylphenyl)sulfonyl-3-azabicyclo[4.1.0]hept-4-ene

Systemtic Name: 6-(4-bromophenyl)-7-cyclopropyl-3-(4-methylphenyl)sulfonyl-3-azabicyclo[4.1.0]hept-4-ene Openeye Name: 6-(4-bromophenyl)-7-cyclopropyl-3-(p-tolylsulfonyl)-3-azabicyclo[4.1.0]hept-4-ene CAS Name: 6-(4-bromophenyl)-7-cyclopropyl-3-(4-methylphenyl)sulfonyl-3-azabicyclo[4.1.0]hept-4-ene IUPAC Name: 6-(4-bromophenyl)-7-cyclopropyl-3-(4-methylphenyl)sulfonyl-3-azabicyclo[4.1.0]hept-4-ene Traditional Name: 6-(4-bromophenyl)-7-cyclopropyl-3-tosyl-3-azabicyclo[4.1.0]hept-4-ene Formula: C22H22BrNO2S MolecularWeight: 444.38458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC3C(C3(C=C2)C4=CC=C(C=C4)Br)C5CC5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC3C(C3(C=C2)C4=CC=C(C=C4)Br)C5CC5

InChI

InChI=1S/C22H22BrNO2S/c1-15-2-10-19(11-3-15)27(25,26)24-13-12-22(17-6-8-18(23)9-7-17)20(14-24)21(22)16-4-5-16/h2-3,6-13,16,20-21H,4-5,14H2,1H3