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

Systemtic Name: 1-butylsulfonyl-N-(1-ethyl-2-pyridin-3-yl-benzimidazol-5-yl)-4-hexyl-piperazine-2-carboxamide Openeye Name: 1-butylsulfonyl-N-[1-ethyl-2-(3-pyridyl)benzimidazol-5-yl]-4-hexyl-piperazine-2-carboxamide CAS Name: 1-butylsulfonyl-N-[1-ethyl-2-(3-pyridinyl)-5-benzimidazolyl]-4-hexyl-2-piperazinecarboxamide IUPAC Name: 1-butylsulfonyl-N-(1-ethyl-2-pyridin-3-ylbenzimidazol-5-yl)-4-hexylpiperazine-2-carboxamide Traditional Name: 1-butylsulfonyl-N-[1-ethyl-2-(3-pyridyl)benzimidazol-5-yl]-4-hexyl-piperazine-2-carboxamide Formula: C29H42N6O3S MolecularWeight: 554.74718

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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)CCCC

Isomeric SMILES

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

InChI

InChI=1S/C29H42N6O3S/c1-4-7-9-10-16-33-17-18-35(39(37,38)19-8-5-2)27(22-33)29(36)31-24-13-14-26-25(20-24)32-28(34(26)6-3)23-12-11-15-30-21-23/h11-15,20-21,27H,4-10,16-19,22H2,1-3H3,(H,31,36)