1,3-benzothiazol-2-ylmethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 1-(3,5-dimethylisoxazol-4-yl)sulfonylpiperidine-3-carboxylate CAS Name: 1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-3-piperidinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate Traditional Name: 1-(3,5-dimethylisoxazol-4-yl)sulfonylnipecotic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C19H21N3O5S2 MolecularWeight: 435.51714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCC(C2)C(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCC(C2)C(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H21N3O5S2/c1-12-18(13(2)27-21-12)29(24,25)22-9-5-6-14(10-22)19(23)26-11-17-20-15-7-3-4-8-16(15)28-17/h3-4,7-8,14H,5-6,9-11H2,1-2H3