1,3-benzoxazol-2-ylmethyl 1-(3,4-dimethylphenyl)sulfonylcyclopentane-1-carboxylate

Systemtic Name: 1,3-benzoxazol-2-ylmethyl 1-(3,4-dimethylphenyl)sulfonylcyclopentane-1-carboxylate Openeye Name: 1,3-benzoxazol-2-ylmethyl 1-(3,4-dimethylphenyl)sulfonylcyclopentanecarboxylate CAS Name: 1-(3,4-dimethylphenyl)sulfonyl-1-cyclopentanecarboxylic acid 1,3-benzoxazol-2-ylmethyl ester IUPAC Name: 1,3-benzoxazol-2-ylmethyl 1-(3,4-dimethylphenyl)sulfonylcyclopentane-1-carboxylate Traditional Name: 1-(3,4-dimethylphenyl)sulfonylcyclopentanecarboxylic acid 1,3-benzoxazol-2-ylmethyl ester Formula: C22H23NO5S MolecularWeight: 413.48672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C2(CCCC2)C(=O)OCC3=NC4=CC=CC=C4O3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C2(CCCC2)C(=O)OCC3=NC4=CC=CC=C4O3)C

InChI

InChI=1S/C22H23NO5S/c1-15-9-10-17(13-16(15)2)29(25,26)22(11-5-6-12-22)21(24)27-14-20-23-18-7-3-4-8-19(18)28-20/h3-4,7-10,13H,5-6,11-12,14H2,1-2H3