4-[2-(3,5-dimethoxyphenyl)ethyl]-1-(4-methylsulfonyl-2-nitro-phenyl)piperidine

Systemtic Name: 4-[2-(3,5-dimethoxyphenyl)ethyl]-1-(4-methylsulfonyl-2-nitro-phenyl)piperidine Openeye Name: 4-[2-(3,5-dimethoxyphenyl)ethyl]-1-(4-methylsulfonyl-2-nitro-phenyl)piperidine CAS Name: 4-[2-(3,5-dimethoxyphenyl)ethyl]-1-(4-methylsulfonyl-2-nitrophenyl)piperidine IUPAC Name: 4-[2-(3,5-dimethoxyphenyl)ethyl]-1-(4-methylsulfonyl-2-nitrophenyl)piperidine Traditional Name: 4-[2-(3,5-dimethoxyphenyl)ethyl]-1-(4-mesyl-2-nitro-phenyl)piperidine Formula: C22H28N2O6S MolecularWeight: 448.53252

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CCC2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=CC(=C1)CCC2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-])OC

InChI

InChI=1S/C22H28N2O6S/c1-29-18-12-17(13-19(14-18)30-2)5-4-16-8-10-23(11-9-16)21-7-6-20(31(3,27)28)15-22(21)24(25)26/h6-7,12-16H,4-5,8-11H2,1-3H3