N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1-thiophen-2-ylsulfonyl-piperidine-2-carboxamide

Systemtic Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1-thiophen-2-ylsulfonyl-piperidine-2-carboxamide Openeye Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)-1-(2-thienylsulfonyl)piperidine-2-carboxamide CAS Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-pyridinylmethyl)-1-thiophen-2-ylsulfonyl-2-piperidinecarboxamide IUPAC Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide Traditional Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)-1-(2-thienylsulfonyl)pipecolinamide Formula: C25H26N4O3S3 MolecularWeight: 526.69394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N=C(S2)N(CC3=CC=CC=N3)C(=O)C4CCCCN4S(=O)(=O)C5=CC=CS5)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(S2)N(CC3=CC=CC=N3)C(=O)C4CCCCN4S(=O)(=O)C5=CC=CS5)C

InChI

InChI=1S/C25H26N4O3S3/c1-17-14-18(2)23-20(15-17)27-25(34-23)28(16-19-8-3-5-11-26-19)24(30)21-9-4-6-12-29(21)35(31,32)22-10-7-13-33-22/h3,5,7-8,10-11,13-15,21H,4,6,9,12,16H2,1-2H3