N-(1-ethyl-2-pyridin-3-yl-benzimidazol-5-yl)-4-hexyl-1-thiophen-2-ylsulfonyl-piperazine-2-carboxamide

Systemtic Name: N-(1-ethyl-2-pyridin-3-yl-benzimidazol-5-yl)-4-hexyl-1-thiophen-2-ylsulfonyl-piperazine-2-carboxamide Openeye Name: N-[1-ethyl-2-(3-pyridyl)benzimidazol-5-yl]-4-hexyl-1-(2-thienylsulfonyl)piperazine-2-carboxamide CAS Name: N-[1-ethyl-2-(3-pyridinyl)-5-benzimidazolyl]-4-hexyl-1-thiophen-2-ylsulfonyl-2-piperazinecarboxamide IUPAC Name: N-(1-ethyl-2-pyridin-3-ylbenzimidazol-5-yl)-4-hexyl-1-thiophen-2-ylsulfonylpiperazine-2-carboxamide Traditional Name: N-[1-ethyl-2-(3-pyridyl)benzimidazol-5-yl]-4-hexyl-1-(2-thienylsulfonyl)piperazine-2-carboxamide Formula: C29H36N6O3S2 MolecularWeight: 580.76454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1CCN(C(C1)C(=O)NC2=CC3=C(C=C2)N(C(=N3)C4=CN=CC=C4)CC)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

CCCCCCN1CCN(C(C1)C(=O)NC2=CC3=C(C=C2)N(C(=N3)C4=CN=CC=C4)CC)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C29H36N6O3S2/c1-3-5-6-7-15-33-16-17-35(40(37,38)27-11-9-18-39-27)26(21-33)29(36)31-23-12-13-25-24(19-23)32-28(34(25)4-2)22-10-8-14-30-20-22/h8-14,18-20,26H,3-7,15-17,21H2,1-2H3,(H,31,36)