2-(1-butyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)sulfanyl-N-(1,2-oxazol-3-yl)ethanamide

Systemtic Name: 2-(1-butyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)sulfanyl-N-(1,2-oxazol-3-yl)ethanamide Openeye Name: 2-[1-butyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]sulfanyl-N-isoxazol-3-yl-acetamide CAS Name: 2-[[1-butyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]thio]-N-(3-isoxazolyl)acetamide IUPAC Name: 2-(1-butyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanyl-N-(1,2-oxazol-3-yl)acetamide Traditional Name: 2-[(1-butyl-5-piperidinosulfonyl-benzimidazol-2-yl)thio]-N-isoxazol-3-yl-acetamide Formula: C21H27N5O4S2 MolecularWeight: 477.60018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1SCC(=O)NC4=NOC=C4

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1SCC(=O)NC4=NOC=C4

InChI

InChI=1S/C21H27N5O4S2/c1-2-3-12-26-18-8-7-16(32(28,29)25-10-5-4-6-11-25)14-17(18)22-21(26)31-15-20(27)23-19-9-13-30-24-19/h7-9,13-14H,2-6,10-12,15H2,1H3,(H,23,24,27)