3-[(3-chloranyl-4-methoxy-phenyl)methyl]-1-(1-methylsulfonylpiperidin-4-yl)-2-oxidanylidene-benzimidazole-5-carbonitrile

Systemtic Name: 3-[(3-chloranyl-4-methoxy-phenyl)methyl]-1-(1-methylsulfonylpiperidin-4-yl)-2-oxidanylidene-benzimidazole-5-carbonitrile Openeye Name: 3-[(3-chloro-4-methoxy-phenyl)methyl]-1-(1-methylsulfonyl-4-piperidyl)-2-oxo-benzimidazole-5-carbonitrile CAS Name: 3-[(3-chloro-4-methoxyphenyl)methyl]-1-(1-methylsulfonyl-4-piperidinyl)-2-oxo-5-benzimidazolecarbonitrile IUPAC Name: 3-[(3-chloro-4-methoxyphenyl)methyl]-1-(1-methylsulfonylpiperidin-4-yl)-2-oxobenzimidazole-5-carbonitrile Traditional Name: 3-(3-chloro-4-methoxy-benzyl)-2-keto-1-(1-mesyl-4-piperidyl)benzimidazole-5-carbonitrile Formula: C22H23ClN4O4S MolecularWeight: 474.96042

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C3=C(C=CC(=C3)C#N)N(C2=O)C4CCN(CC4)S(=O)(=O)C)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C3=C(C=CC(=C3)C#N)N(C2=O)C4CCN(CC4)S(=O)(=O)C)Cl

InChI

InChI=1S/C22H23ClN4O4S/c1-31-21-6-4-16(11-18(21)23)14-26-20-12-15(13-24)3-5-19(20)27(22(26)28)17-7-9-25(10-8-17)32(2,29)30/h3-6,11-12,17H,7-10,14H2,1-2H3