3-chloranyl-4-[(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methoxy]benzenecarbonitrile

Systemtic Name: 3-chloranyl-4-[(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methoxy]benzenecarbonitrile Openeye Name: 3-chloro-4-[(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methoxy]benzonitrile CAS Name: 3-chloro-4-[[1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]methoxy]benzonitrile IUPAC Name: 3-chloro-4-[(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methoxy]benzonitrile Traditional Name: 3-chloro-4-[(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methoxy]benzonitrile Formula: C21H21ClN4O4S MolecularWeight: 460.93384

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC4=C(C=C(C=C4)C#N)Cl

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC4=C(C=C(C=C4)C#N)Cl

InChI

InChI=1S/C21H21ClN4O4S/c1-2-26-19-5-4-16(31(27,28)25-7-9-29-10-8-25)12-18(19)24-21(26)14-30-20-6-3-15(13-23)11-17(20)22/h3-6,11-12H,2,7-10,14H2,1H3