N-[2-(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)sulfanylethanoyl]-1-methyl-pyrrole-2-carboxamide

Systemtic Name: N-[2-(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)sulfanylethanoyl]-1-methyl-pyrrole-2-carboxamide Openeye Name: N-[2-[1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]sulfanylacetyl]-1-methyl-pyrrole-2-carboxamide CAS Name: N-[2-[[1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]thio]-1-oxoethyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: N-[2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanylacetyl]-1-methylpyrrole-2-carboxamide Traditional Name: N-[2-[(1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)thio]acetyl]-1-methyl-pyrrole-2-carboxamide Formula: C22H27N5O4S2 MolecularWeight: 489.61088

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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)C4=CC=CN4C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1SCC(=O)NC(=O)C4=CC=CN4C

InChI

InChI=1S/C22H27N5O4S2/c1-3-27-18-10-9-16(33(30,31)26-12-5-4-6-13-26)14-17(18)23-22(27)32-15-20(28)24-21(29)19-8-7-11-25(19)2/h7-11,14H,3-6,12-13,15H2,1-2H3,(H,24,28,29)