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

Systemtic Name: N-(1-ethyl-2-pyridin-4-yl-benzimidazol-5-yl)-4-octyl-1-thiophen-2-ylsulfonyl-piperazine-2-carboxamide Openeye Name: N-[1-ethyl-2-(4-pyridyl)benzimidazol-5-yl]-4-octyl-1-(2-thienylsulfonyl)piperazine-2-carboxamide CAS Name: N-(1-ethyl-2-pyridin-4-yl-5-benzimidazolyl)-4-octyl-1-thiophen-2-ylsulfonyl-2-piperazinecarboxamide IUPAC Name: N-(1-ethyl-2-pyridin-4-ylbenzimidazol-5-yl)-4-octyl-1-thiophen-2-ylsulfonylpiperazine-2-carboxamide Traditional Name: N-[1-ethyl-2-(4-pyridyl)benzimidazol-5-yl]-4-octyl-1-(2-thienylsulfonyl)piperazine-2-carboxamide Formula: C31H40N6O3S2 MolecularWeight: 608.8177

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1CCN(C(C1)C(=O)NC2=CC3=C(C=C2)N(C(=N3)C4=CC=NC=C4)CC)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

CCCCCCCCN1CCN(C(C1)C(=O)NC2=CC3=C(C=C2)N(C(=N3)C4=CC=NC=C4)CC)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C31H40N6O3S2/c1-3-5-6-7-8-9-18-35-19-20-37(42(39,40)29-11-10-21-41-29)28(23-35)31(38)33-25-12-13-27-26(22-25)34-30(36(27)4-2)24-14-16-32-17-15-24/h10-17,21-22,28H,3-9,18-20,23H2,1-2H3,(H,33,38)