1,3-benzothiazol-2-ylmethyl 1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 1-(p-tolylsulfonyl)piperidine-2-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-2-piperidinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate Traditional Name: 1-tosylpipecolinic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C21H22N2O4S2 MolecularWeight: 430.54038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22N2O4S2/c1-15-9-11-16(12-10-15)29(25,26)23-13-5-4-7-18(23)21(24)27-14-20-22-17-6-2-3-8-19(17)28-20/h2-3,6,8-12,18H,4-5,7,13-14H2,1H3