(4S,4aR,9aS)-4-methoxy-9-(4-methylphenyl)sulfonyl-4a-nitro-1,3,4,9a-tetrahydrocarbazol-2-one

Systemtic Name: (4S,4aR,9aS)-4-methoxy-9-(4-methylphenyl)sulfonyl-4a-nitro-1,3,4,9a-tetrahydrocarbazol-2-one Openeye Name: (4S,4aR,9aS)-4-methoxy-4a-nitro-9-(p-tolylsulfonyl)-1,3,4,9a-tetrahydrocarbazol-2-one CAS Name: (4S,4aR,9aS)-4-methoxy-9-(4-methylphenyl)sulfonyl-4a-nitro-1,3,4,9a-tetrahydrocarbazol-2-one IUPAC Name: (4S,4aR,9aS)-4-methoxy-9-(4-methylphenyl)sulfonyl-4a-nitro-1,3,4,9a-tetrahydrocarbazol-2-one Traditional Name: (4S,4aR,9aS)-4-methoxy-4a-nitro-9-tosyl-1,3,4,9a-tetrahydrocarbazol-2-one Formula: C20H20N2O6S MolecularWeight: 416.4476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O6S/c1-13-7-9-15(10-8-13)29(26,27)21-17-6-4-3-5-16(17)20(22(24)25)18(21)11-14(23)12-19(20)28-2/h3-10,18-19H,11-12H2,1-2H3/t18-,19-,20+/m0/s1