1,3-benzothiazol-2-ylmethyl 2-(4-piperidin-1-ylsulfonylphenyl)ethanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-(4-piperidin-1-ylsulfonylphenyl)ethanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-[4-(1-piperidylsulfonyl)phenyl]acetate CAS Name: 2-[4-(1-piperidinylsulfonyl)phenyl]acetic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-(4-piperidin-1-ylsulfonylphenyl)acetate Traditional Name: 2-(4-piperidinosulfonylphenyl)acetic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C21H22N2O4S2 MolecularWeight: 430.54038

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CC(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CC(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22N2O4S2/c24-21(27-15-20-22-18-6-2-3-7-19(18)28-20)14-16-8-10-17(11-9-16)29(25,26)23-12-4-1-5-13-23/h2-3,6-11H,1,4-5,12-15H2