2-(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)sulfanyl-N-pentan-3-yl-ethanamide

Systemtic Name: 2-(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)sulfanyl-N-pentan-3-yl-ethanamide Openeye Name: 2-[1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]sulfanyl-N-(1-ethylpropyl)acetamide CAS Name: 2-[[1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]thio]-N-pentan-3-ylacetamide IUPAC Name: 2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanyl-N-pentan-3-ylacetamide Traditional Name: 2-[(1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)thio]-N-(1-ethylpropyl)acetamide Formula: C21H32N4O3S2 MolecularWeight: 452.63378

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)CSC1=NC2=C(N1CC)C=CC(=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCC(CC)NC(=O)CSC1=NC2=C(N1CC)C=CC(=C2)S(=O)(=O)N3CCCCC3

InChI

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