4-[3-[(3-chloranyl-4-methoxy-phenyl)methyl]-5-cyano-2-oxidanylidene-benzimidazol-1-yl]piperidine-1-sulfonamide

Systemtic Name: 4-[3-[(3-chloranyl-4-methoxy-phenyl)methyl]-5-cyano-2-oxidanylidene-benzimidazol-1-yl]piperidine-1-sulfonamide Openeye Name: 4-[3-[(3-chloro-4-methoxy-phenyl)methyl]-5-cyano-2-oxo-benzimidazol-1-yl]piperidine-1-sulfonamide CAS Name: 4-[3-[(3-chloro-4-methoxyphenyl)methyl]-5-cyano-2-oxo-1-benzimidazolyl]-1-piperidinesulfonamide IUPAC Name: 4-[3-[(3-chloro-4-methoxyphenyl)methyl]-5-cyano-2-oxobenzimidazol-1-yl]piperidine-1-sulfonamide Traditional Name: 4-[3-(3-chloro-4-methoxy-benzyl)-5-cyano-2-keto-benzimidazol-1-yl]piperidine-1-sulfonamide Formula: C21H22ClN5O4S MolecularWeight: 475.94848

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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)N)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN5O4S/c1-31-20-5-3-15(10-17(20)22)13-26-19-11-14(12-23)2-4-18(19)27(21(26)28)16-6-8-25(9-7-16)32(24,29)30/h2-5,10-11,16H,6-9,13H2,1H3,(H2,24,29,30)