1,3-benzothiazol-2-ylmethyl 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-mesitylsulfonylisonipecotic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C23H26N2O4S2 MolecularWeight: 458.59354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C23H26N2O4S2/c1-15-12-16(2)22(17(3)13-15)31(27,28)25-10-8-18(9-11-25)23(26)29-14-21-24-19-6-4-5-7-20(19)30-21/h4-7,12-13,18H,8-11,14H2,1-3H3