3-cyclohexyl-1-(4-methylphenyl)sulfonyl-6-phenyl-4,4a,7a,8-tetrahydropyrrolo[3,4-f]indazole-5,7-dione

Systemtic Name: 3-cyclohexyl-1-(4-methylphenyl)sulfonyl-6-phenyl-4,4a,7a,8-tetrahydropyrrolo[3,4-f]indazole-5,7-dione Openeye Name: 3-cyclohexyl-6-phenyl-1-(p-tolylsulfonyl)-4,4a,7a,8-tetrahydropyrrolo[3,4-f]indazole-5,7-dione CAS Name: 3-cyclohexyl-1-(4-methylphenyl)sulfonyl-6-phenyl-4,4a,7a,8-tetrahydropyrrolo[3,4-f]indazole-5,7-dione IUPAC Name: 3-cyclohexyl-1-(4-methylphenyl)sulfonyl-6-phenyl-4,4a,7a,8-tetrahydropyrrolo[3,4-f]indazole-5,7-dione Traditional Name: 3-cyclohexyl-6-phenyl-1-tosyl-4,4a,7a,8-tetrahydropyrrol[3,4-f]indazole-5,7-quinone Formula: C28H29N3O4S MolecularWeight: 503.61256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(CC4C(C3)C(=O)N(C4=O)C5=CC=CC=C5)C(=N2)C6CCCCC6

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(CC4C(C3)C(=O)N(C4=O)C5=CC=CC=C5)C(=N2)C6CCCCC6

InChI

InChI=1S/C28H29N3O4S/c1-18-12-14-21(15-13-18)36(34,35)31-25-17-23-22(16-24(25)26(29-31)19-8-4-2-5-9-19)27(32)30(28(23)33)20-10-6-3-7-11-20/h3,6-7,10-15,19,22-23H,2,4-5,8-9,16-17H2,1H3