8,9-dimethoxy-6-(4-methylsulfonylphenyl)-1,2,3,4,4a,10b-hexahydrophenanthridine

Systemtic Name: 8,9-dimethoxy-6-(4-methylsulfonylphenyl)-1,2,3,4,4a,10b-hexahydrophenanthridine Openeye Name: 8,9-dimethoxy-6-(4-methylsulfonylphenyl)-1,2,3,4,4a,10b-hexahydrophenanthridine CAS Name: 8,9-dimethoxy-6-(4-methylsulfonylphenyl)-1,2,3,4,4a,10b-hexahydrophenanthridine IUPAC Name: 8,9-dimethoxy-6-(4-methylsulfonylphenyl)-1,2,3,4,4a,10b-hexahydrophenanthridine Traditional Name: 6-(4-mesylphenyl)-8,9-dimethoxy-1,2,3,4,4a,10b-hexahydrophenanthridine Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C3CCCCC3N=C2C4=CC=C(C=C4)S(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C3CCCCC3N=C2C4=CC=C(C=C4)S(=O)(=O)C)OC

InChI

InChI=1S/C22H25NO4S/c1-26-20-12-17-16-6-4-5-7-19(16)23-22(18(17)13-21(20)27-2)14-8-10-15(11-9-14)28(3,24)25/h8-13,16,19H,4-7H2,1-3H3