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1,3-benzothiazol-2-ylmethyl (3S)-1-thiophen-2-ylsulfonylpiperidine-3-carboxylate

1,3-benzothiazol-2-ylmethyl (3S)-1-thiophen-2-ylsulfonylpiperidine-3-carboxylate

Systemtic Name:1,3-benzothiazol-2-ylmethyl (3S)-1-thiophen-2-ylsulfonylpiperidine-3-carboxylate
Openeye Name:1,3-benzothiazol-2-ylmethyl (3S)-1-(2-thienylsulfonyl)piperidine-3-carboxylate
CAS Name:(3S)-1-thiophen-2-ylsulfonyl-3-piperidinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester
IUPAC Name:1,3-benzothiazol-2-ylmethyl (3S)-1-thiophen-2-ylsulfonylpiperidine-3-carboxylate
Traditional Name:(3S)-1-(2-thienylsulfonyl)nipecotic acid 1,3-benzothiazol-2-ylmethyl ester
Formula: C18H18N2O4S3
MolecularWeight: 422.54152
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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)OCC3=NC4=CC=CC=C4S3


Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)OCC3=NC4=CC=CC=C4S3


InChI

InChI=1S/C18H18N2O4S3/c21-18(24-12-16-19-14-6-1-2-7-15(14)26-16)13-5-3-9-20(11-13)27(22,23)17-8-4-10-25-17/h1-2,4,6-8,10,13H,3,5,9,11-12H2/t13-/m0/s1


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