(2-methoxy-5-nitro-phenyl)methyl 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (2-methoxy-5-nitro-phenyl)methyl 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (2-methoxy-5-nitro-phenyl)methyl 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3,4-dimethylphenyl)sulfonyl-4-piperidinecarboxylic acid (2-methoxy-5-nitrophenyl)methyl ester IUPAC Name: (2-methoxy-5-nitrophenyl)methyl 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3,4-dimethylphenyl)sulfonylisonipecotic acid (2-methoxy-5-nitro-benzyl) ester Formula: C22H26N2O7S MolecularWeight: 462.51604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=C(C=CC(=C3)[N+](=O)[O-])OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=C(C=CC(=C3)[N+](=O)[O-])OC)C

InChI

InChI=1S/C22H26N2O7S/c1-15-4-6-20(12-16(15)2)32(28,29)23-10-8-17(9-11-23)22(25)31-14-18-13-19(24(26)27)5-7-21(18)30-3/h4-7,12-13,17H,8-11,14H2,1-3H3