(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl 4-cyanobenzoate

Systemtic Name: (1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl 4-cyanobenzoate Openeye Name: [1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]methyl 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]methyl ester IUPAC Name: (1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid (1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)methyl ester Formula: C23H24N4O4S MolecularWeight: 452.52606

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1COC(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1COC(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H24N4O4S/c1-2-27-21-11-10-19(32(29,30)26-12-4-3-5-13-26)14-20(21)25-22(27)16-31-23(28)18-8-6-17(15-24)7-9-18/h6-11,14H,2-5,12-13,16H2,1H3