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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)SC(=N2)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=N2)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C19H21N3O3S3/c1-2-13-6-3-8-15-17(13)20-19(27-15)21-18(23)14-7-4-10-22(12-14)28(24,25)16-9-5-11-26-16/h3,5-6,8-9,11,14H,2,4,7,10,12H2,1H3,(H,20,21,23)