1,3-benzothiazol-2-ylmethyl 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 1-(2,5-dimethylphenyl)sulfonylcyclopentanecarboxylate CAS Name: 1-(2,5-dimethylphenyl)sulfonyl-1-cyclopentanecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate Traditional Name: 1-(2,5-dimethylphenyl)sulfonylcyclopentanecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C22H23NO4S2 MolecularWeight: 429.55232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)C2(CCCC2)C(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)C2(CCCC2)C(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H23NO4S2/c1-15-9-10-16(2)19(13-15)29(25,26)22(11-5-6-12-22)21(24)27-14-20-23-17-7-3-4-8-18(17)28-20/h3-4,7-10,13H,5-6,11-12,14H2,1-2H3