N-(tert-butylcarbamoyl)-2-(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)sulfanyl-propanamide

Systemtic Name: N-(tert-butylcarbamoyl)-2-(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)sulfanyl-propanamide Openeye Name: N-(tert-butylcarbamoyl)-2-[1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]sulfanyl-propanamide CAS Name: N-[(tert-butylamino)-oxomethyl]-2-[[1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]thio]propanamide IUPAC Name: N-(tert-butylcarbamoyl)-2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanylpropanamide Traditional Name: N-(tert-butylcarbamoyl)-2-[(1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)thio]propionamide Formula: C22H33N5O4S2 MolecularWeight: 495.65852

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1SC(C)C(=O)NC(=O)NC(C)(C)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1SC(C)C(=O)NC(=O)NC(C)(C)C

InChI

InChI=1S/C22H33N5O4S2/c1-6-27-18-11-10-16(33(30,31)26-12-8-7-9-13-26)14-17(18)23-21(27)32-15(2)19(28)24-20(29)25-22(3,4)5/h10-11,14-15H,6-9,12-13H2,1-5H3,(H2,24,25,28,29)