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

Systemtic Name: 2-(1-butyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)sulfanyl-1-(1H-pyrrol-2-yl)ethanone Openeye Name: 2-(1-butyl-5-morpholinosulfonyl-benzimidazol-2-yl)sulfanyl-1-(1H-pyrrol-2-yl)ethanone CAS Name: 2-[[1-butyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]thio]-1-(1H-pyrrol-2-yl)ethanone IUPAC Name: 2-(1-butyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanyl-1-(1H-pyrrol-2-yl)ethanone Traditional Name: 2-[(1-butyl-5-morpholinosulfonyl-benzimidazol-2-yl)thio]-1-(1H-pyrrol-2-yl)ethanone Formula: C21H26N4O4S2 MolecularWeight: 462.58554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SCC(=O)C4=CC=CN4

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SCC(=O)C4=CC=CN4

InChI

InChI=1S/C21H26N4O4S2/c1-2-3-9-25-19-7-6-16(31(27,28)24-10-12-29-13-11-24)14-18(19)23-21(25)30-15-20(26)17-5-4-8-22-17/h4-8,14,22H,2-3,9-13,15H2,1H3