6-(4-methylsulfonylphenyl)-5,6,6a,7,8,12b-hexahydrobenzo[k]phenanthridine-2-carboximidamide

Systemtic Name: 6-(4-methylsulfonylphenyl)-5,6,6a,7,8,12b-hexahydrobenzo[k]phenanthridine-2-carboximidamide Openeye Name: 6-(4-methylsulfonylphenyl)-5,6,6a,7,8,12b-hexahydrobenzo[k]phenanthridine-2-carboxamidine CAS Name: 6-(4-methylsulfonylphenyl)-5,6,6a,7,8,12b-hexahydrobenzo[k]phenanthridine-2-carboximidamide IUPAC Name: 6-(4-methylsulfonylphenyl)-5,6,6a,7,8,12b-hexahydrobenzo[k]phenanthridine-2-carboximidamide Traditional Name: 6-(4-mesylphenyl)-5,6,6a,7,8,12b-hexahydrobenzo[k]phenanthridine-2-carboxamidine Formula: C25H25N3O2S MolecularWeight: 431.5499

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2C3CCC4=CC=CC=C4C3C5=C(N2)C=CC(=C5)C(=N)N

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2C3CCC4=CC=CC=C4C3C5=C(N2)C=CC(=C5)C(=N)N

InChI

InChI=1S/C25H25N3O2S/c1-31(29,30)18-10-6-16(7-11-18)24-20-12-8-15-4-2-3-5-19(15)23(20)21-14-17(25(26)27)9-13-22(21)28-24/h2-7,9-11,13-14,20,23-24,28H,8,12H2,1H3,(H3,26,27)