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

Systemtic Name: 2-(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)sulfanyl-N-(2-methylpropylcarbamoyl)ethanamide Openeye Name: 2-[1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]sulfanyl-N-(isobutylcarbamoyl)acetamide CAS Name: 2-[[1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]thio]-N-[(2-methylpropylamino)-oxomethyl]acetamide IUPAC Name: 2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanyl-N-(2-methylpropylcarbamoyl)acetamide Traditional Name: 2-[(1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)thio]-N-(isobutylcarbamoyl)acetamide Formula: C21H31N5O4S2 MolecularWeight: 481.63194

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1SCC(=O)NC(=O)NCC(C)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1SCC(=O)NC(=O)NCC(C)C

InChI

InChI=1S/C21H31N5O4S2/c1-4-26-18-9-8-16(32(29,30)25-10-6-5-7-11-25)12-17(18)23-21(26)31-14-19(27)24-20(28)22-13-15(2)3/h8-9,12,15H,4-7,10-11,13-14H2,1-3H3,(H2,22,24,27,28)