N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)-2-thienyl]-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)-2-thiophenyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)-2-thienyl]-1-(2-thienylsulfonyl)nipecotamide Formula: C21H19N3O3S4 MolecularWeight: 489.65386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)NC3=C(C=CS3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)NC3=C(C=CS3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H19N3O3S4/c25-19(14-5-3-10-24(13-14)31(26,27)18-8-4-11-28-18)23-20-15(9-12-29-20)21-22-16-6-1-2-7-17(16)30-21/h1-2,4,6-9,11-12,14H,3,5,10,13H2,(H,23,25)