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

Systemtic Name: N-(1-ethyl-2-pyridin-3-yl-benzimidazol-5-yl)-1-(4-fluorophenyl)sulfonyl-4-hexyl-piperazine-2-carboxamide Openeye Name: N-[1-ethyl-2-(3-pyridyl)benzimidazol-5-yl]-1-(4-fluorophenyl)sulfonyl-4-hexyl-piperazine-2-carboxamide CAS Name: N-[1-ethyl-2-(3-pyridinyl)-5-benzimidazolyl]-1-(4-fluorophenyl)sulfonyl-4-hexyl-2-piperazinecarboxamide IUPAC Name: N-(1-ethyl-2-pyridin-3-ylbenzimidazol-5-yl)-1-(4-fluorophenyl)sulfonyl-4-hexylpiperazine-2-carboxamide Traditional Name: N-[1-ethyl-2-(3-pyridyl)benzimidazol-5-yl]-1-(4-fluorophenyl)sulfonyl-4-hexyl-piperazine-2-carboxamide Formula: C31H37FN6O3S MolecularWeight: 592.727283

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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=C(C=C5)F

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=C(C=C5)F

InChI

InChI=1S/C31H37FN6O3S/c1-3-5-6-7-17-36-18-19-38(42(40,41)26-13-10-24(32)11-14-26)29(22-36)31(39)34-25-12-15-28-27(20-25)35-30(37(28)4-2)23-9-8-16-33-21-23/h8-16,20-21,29H,3-7,17-19,22H2,1-2H3,(H,34,39)