N-[2-(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)sulfanylethanoyl]-1-methyl-pyrrole-2-carboxamide

Systemtic Name: N-[2-(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)sulfanylethanoyl]-1-methyl-pyrrole-2-carboxamide Openeye Name: N-[2-(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)sulfanylacetyl]-1-methyl-pyrrole-2-carboxamide CAS Name: N-[2-[[1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]thio]-1-oxoethyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: N-[2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylacetyl]-1-methylpyrrole-2-carboxamide Traditional Name: N-[2-[(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)thio]acetyl]-1-methyl-pyrrole-2-carboxamide Formula: C21H25N5O5S2 MolecularWeight: 491.5837

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SCC(=O)NC(=O)C4=CC=CN4C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SCC(=O)NC(=O)C4=CC=CN4C

InChI

InChI=1S/C21H25N5O5S2/c1-3-26-17-7-6-15(33(29,30)25-9-11-31-12-10-25)13-16(17)22-21(26)32-14-19(27)23-20(28)18-5-4-8-24(18)2/h4-8,13H,3,9-12,14H2,1-2H3,(H,23,27,28)