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

Systemtic Name: N-(cyclopropylcarbamoyl)-2-(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)sulfanyl-propanamide Openeye Name: N-(cyclopropylcarbamoyl)-2-[1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]sulfanyl-propanamide CAS Name: N-[(cyclopropylamino)-oxomethyl]-2-[[1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]thio]propanamide IUPAC Name: N-(cyclopropylcarbamoyl)-2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanylpropanamide Traditional Name: N-(cyclopropylcarbamoyl)-2-[(1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)thio]propionamide Formula: C21H29N5O4S2 MolecularWeight: 479.61606

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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)NC4CC4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1SC(C)C(=O)NC(=O)NC4CC4

InChI

InChI=1S/C21H29N5O4S2/c1-3-26-18-10-9-16(32(29,30)25-11-5-4-6-12-25)13-17(18)23-21(26)31-14(2)19(27)24-20(28)22-15-7-8-15/h9-10,13-15H,3-8,11-12H2,1-2H3,(H2,22,24,27,28)