N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)piperidine-4-carboxamide CAS Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)isonipecotamide Formula: C19H21N3O3S3 MolecularWeight: 435.58334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4)C

InChI

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