(2R)-N-(4-ethyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-piperidine-2-carboxamide

Systemtic Name: (2R)-N-(4-ethyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(4-ethyl-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(4-ethyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-2-piperidinecarboxamide IUPAC Name: (2R)-N-(4-ethyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide Traditional Name: (2R)-N-(4-ethyl-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)pipecolinamide Formula: C19H21N3O3S3 MolecularWeight: 435.58334

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)SC(=N2)NC(=O)C3CCCCN3S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=N2)NC(=O)[C@H]3CCCCN3S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C19H21N3O3S3/c1-2-13-7-5-9-15-17(13)20-19(27-15)21-18(23)14-8-3-4-11-22(14)28(24,25)16-10-6-12-26-16/h5-7,9-10,12,14H,2-4,8,11H2,1H3,(H,20,21,23)/t14-/m1/s1