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

Systemtic Name: (2-methoxy-5-nitro-phenyl)methyl 1-(3,4-dimethylphenyl)sulfonylcyclopentane-1-carboxylate Openeye Name: (2-methoxy-5-nitro-phenyl)methyl 1-(3,4-dimethylphenyl)sulfonylcyclopentanecarboxylate CAS Name: 1-(3,4-dimethylphenyl)sulfonyl-1-cyclopentanecarboxylic acid (2-methoxy-5-nitrophenyl)methyl ester IUPAC Name: (2-methoxy-5-nitrophenyl)methyl 1-(3,4-dimethylphenyl)sulfonylcyclopentane-1-carboxylate Traditional Name: 1-(3,4-dimethylphenyl)sulfonylcyclopentanecarboxylic acid (2-methoxy-5-nitro-benzyl) ester Formula: C22H25NO7S MolecularWeight: 447.5014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C2(CCCC2)C(=O)OCC3=C(C=CC(=C3)[N+](=O)[O-])OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C2(CCCC2)C(=O)OCC3=C(C=CC(=C3)[N+](=O)[O-])OC)C

InChI

InChI=1S/C22H25NO7S/c1-15-6-8-19(12-16(15)2)31(27,28)22(10-4-5-11-22)21(24)30-14-17-13-18(23(25)26)7-9-20(17)29-3/h6-9,12-13H,4-5,10-11,14H2,1-3H3