1,3-benzothiazol-2-ylmethyl 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-[5-(1-piperidylsulfonyl)-2-thienyl]acetate CAS Name: 2-[5-(1-piperidinylsulfonyl)-2-thiophenyl]acetic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate Traditional Name: 2-(5-piperidinosulfonyl-2-thienyl)acetic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C19H20N2O4S3 MolecularWeight: 436.5681

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(S2)CC(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(S2)CC(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H20N2O4S3/c22-18(25-13-17-20-15-6-2-3-7-16(15)27-17)12-14-8-9-19(26-14)28(23,24)21-10-4-1-5-11-21/h2-3,6-9H,1,4-5,10-13H2