2-(1-butyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)sulfanyl-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-(1-butyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)sulfanyl-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-(1-butyl-5-morpholinosulfonyl-benzimidazol-2-yl)sulfanyl-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[1-butyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-(1-butyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone Traditional Name: 2-[(1-butyl-5-morpholinosulfonyl-benzimidazol-2-yl)thio]-1-pyrrolidino-ethanone Formula: C21H30N4O4S2 MolecularWeight: 466.6173

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SCC(=O)N4CCCC4

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SCC(=O)N4CCCC4

InChI

InChI=1S/C21H30N4O4S2/c1-2-3-10-25-19-7-6-17(31(27,28)24-11-13-29-14-12-24)15-18(19)22-21(25)30-16-20(26)23-8-4-5-9-23/h6-7,15H,2-5,8-14,16H2,1H3