N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylsulfonyl-piperidine-2-carboxamide

Systemtic Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylsulfonyl-piperidine-2-carboxamide Openeye Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)-1-(2-thienylsulfonyl)piperidine-2-carboxamide CAS Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-pyridinylmethyl)-1-thiophen-2-ylsulfonyl-2-piperidinecarboxamide IUPAC Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide Traditional Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)-1-(2-thienylsulfonyl)pipecolinamide Formula: C25H26N4O3S3 MolecularWeight: 526.69394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)N(CC3=CN=CC=C3)C(=O)C4CCCCN4S(=O)(=O)C5=CC=CS5

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N(CC3=CN=CC=C3)C(=O)C4CCCCN4S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C25H26N4O3S3/c1-2-18-10-11-20-22(15-18)34-25(27-20)28(17-19-7-5-12-26-16-19)24(30)21-8-3-4-13-29(21)35(31,32)23-9-6-14-33-23/h5-7,9-12,14-16,21H,2-4,8,13,17H2,1H3