1-(4-methylphenyl)sulfonyl-3-phenyl-4,4a,5,6,7,7a-hexahydrocyclopenta[c]pyridazine

Systemtic Name: 1-(4-methylphenyl)sulfonyl-3-phenyl-4,4a,5,6,7,7a-hexahydrocyclopenta[c]pyridazine Openeye Name: 3-phenyl-1-(p-tolylsulfonyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[c]pyridazine CAS Name: 1-(4-methylphenyl)sulfonyl-3-phenyl-4,4a,5,6,7,7a-hexahydrocyclopenta[c]pyridazine IUPAC Name: 1-(4-methylphenyl)sulfonyl-3-phenyl-4,4a,5,6,7,7a-hexahydrocyclopenta[c]pyridazine Traditional Name: 3-phenyl-1-tosyl-4,4a,5,6,7,7a-hexahydrocyclopenta[c]pyridazine Formula: C20H22N2O2S MolecularWeight: 354.46588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C3CCCC3CC(=N2)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C3CCCC3CC(=N2)C4=CC=CC=C4

InChI

InChI=1S/C20H22N2O2S/c1-15-10-12-18(13-11-15)25(23,24)22-20-9-5-8-17(20)14-19(21-22)16-6-3-2-4-7-16/h2-4,6-7,10-13,17,20H,5,8-9,14H2,1H3