1,3-benzothiazol-2-ylmethyl 3-piperidin-1-ylsulfonylthiophene-2-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-piperidin-1-ylsulfonylthiophene-2-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-(1-piperidylsulfonyl)thiophene-2-carboxylate CAS Name: 3-(1-piperidinylsulfonyl)-2-thiophenecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-piperidin-1-ylsulfonylthiophene-2-carboxylate Traditional Name: 3-piperidinosulfonylthiophene-2-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C18H18N2O4S3 MolecularWeight: 422.54152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O4S3/c21-18(24-12-16-19-13-6-2-3-7-14(13)26-16)17-15(8-11-25-17)27(22,23)20-9-4-1-5-10-20/h2-3,6-8,11H,1,4-5,9-10,12H2