4-[2-[(2-oxidanylidene-3-propan-2-ylsulfonyl-benzimidazol-1-yl)methyl]benzimidazol-1-yl]butanenitrile

Systemtic Name: 4-[2-[(2-oxidanylidene-3-propan-2-ylsulfonyl-benzimidazol-1-yl)methyl]benzimidazol-1-yl]butanenitrile Openeye Name: 4-[2-[(3-isopropylsulfonyl-2-oxo-benzimidazol-1-yl)methyl]benzimidazol-1-yl]butanenitrile CAS Name: 4-[2-[(2-oxo-3-propan-2-ylsulfonyl-1-benzimidazolyl)methyl]-1-benzimidazolyl]butanenitrile IUPAC Name: 4-[2-[(2-oxo-3-propan-2-ylsulfonylbenzimidazol-1-yl)methyl]benzimidazol-1-yl]butanenitrile Traditional Name: 4-[2-[(3-isopropylsulfonyl-2-keto-benzimidazol-1-yl)methyl]benzimidazol-1-yl]butyronitrile Formula: C22H23N5O3S MolecularWeight: 437.51472

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)N1C2=CC=CC=C2N(C1=O)CC3=NC4=CC=CC=C4N3CCCC#N

Isomeric SMILES

CC(C)S(=O)(=O)N1C2=CC=CC=C2N(C1=O)CC3=NC4=CC=CC=C4N3CCCC#N

InChI

InChI=1S/C22H23N5O3S/c1-16(2)31(29,30)27-20-12-6-5-11-19(20)26(22(27)28)15-21-24-17-9-3-4-10-18(17)25(21)14-8-7-13-23/h3-6,9-12,16H,7-8,14-15H2,1-2H3