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

Systemtic Name: N-tert-butyl-2-(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)sulfanyl-propanamide Openeye Name: N-tert-butyl-2-[1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]sulfanyl-propanamide CAS Name: N-tert-butyl-2-[[1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]thio]propanamide IUPAC Name: N-tert-butyl-2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanylpropanamide Traditional Name: N-tert-butyl-2-[(1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)thio]propionamide Formula: C21H32N4O3S2 MolecularWeight: 452.63378

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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(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H32N4O3S2/c1-6-25-18-11-10-16(30(27,28)24-12-8-7-9-13-24)14-17(18)22-20(25)29-15(2)19(26)23-21(3,4)5/h10-11,14-15H,6-9,12-13H2,1-5H3,(H,23,26)