(4R,4aR,9aS)-4-methoxy-9-(4-methylphenyl)sulfonyl-4a-nitro-4,9a-dihydro-1H-carbazole

Systemtic Name: (4R,4aR,9aS)-4-methoxy-9-(4-methylphenyl)sulfonyl-4a-nitro-4,9a-dihydro-1H-carbazole Openeye Name: (4R,4aR,9aS)-4-methoxy-4a-nitro-9-(p-tolylsulfonyl)-4,9a-dihydro-1H-carbazole CAS Name: (4R,4aR,9aS)-4-methoxy-9-(4-methylphenyl)sulfonyl-4a-nitro-4,9a-dihydro-1H-carbazole IUPAC Name: (4R,4aR,9aS)-4-methoxy-9-(4-methylphenyl)sulfonyl-4a-nitro-4,9a-dihydro-1H-carbazole Traditional Name: (4R,4aR,9aS)-4-methoxy-4a-nitro-9-tosyl-4,9a-dihydro-1H-carbazole Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C3CC=CC(C3(C4=CC=CC=C42)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2[C@H]3CC=C[C@H]([C@]3(C4=CC=CC=C42)[N+](=O)[O-])OC

InChI

InChI=1S/C20H20N2O5S/c1-14-10-12-15(13-11-14)28(25,26)21-17-7-4-3-6-16(17)20(22(23)24)18(21)8-5-9-19(20)27-2/h3-7,9-13,18-19H,8H2,1-2H3/t18-,19+,20+/m0/s1