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

Systemtic Name: 3-[(3-chloranyl-4-methoxy-phenyl)methyl]-1-(1-methylsulfonylpyrrolidin-3-yl)-2-oxidanylidene-benzimidazole-5-carbonitrile Openeye Name: 3-[(3-chloro-4-methoxy-phenyl)methyl]-1-(1-methylsulfonylpyrrolidin-3-yl)-2-oxo-benzimidazole-5-carbonitrile CAS Name: 3-[(3-chloro-4-methoxyphenyl)methyl]-1-(1-methylsulfonyl-3-pyrrolidinyl)-2-oxo-5-benzimidazolecarbonitrile IUPAC Name: 3-[(3-chloro-4-methoxyphenyl)methyl]-1-(1-methylsulfonylpyrrolidin-3-yl)-2-oxobenzimidazole-5-carbonitrile Traditional Name: 3-(3-chloro-4-methoxy-benzyl)-2-keto-1-(1-mesylpyrrolidin-3-yl)benzimidazole-5-carbonitrile Formula: C21H21ClN4O4S MolecularWeight: 460.93384

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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(C4)S(=O)(=O)C)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C3=C(C=CC(=C3)C#N)N(C2=O)C4CCN(C4)S(=O)(=O)C)Cl

InChI

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