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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 1-(4-ethanoylphenyl)sulfonylpiperidine-2-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate CAS Name: 1-(4-acetylphenyl)sulfonyl-2-piperidinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate Traditional Name: 1-(4-acetylphenyl)sulfonylpipecolinic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C22H22N2O5S2 MolecularWeight: 458.55048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O5S2/c1-15(25)16-9-11-17(12-10-16)31(27,28)24-13-5-4-7-19(24)22(26)29-14-21-23-18-6-2-3-8-20(18)30-21/h2-3,6,8-12,19H,4-5,7,13-14H2,1H3