(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: (1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]methyl 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]methyl ester IUPAC Name: (1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid (1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)methyl ester Formula: C22H26N4O4S2 MolecularWeight: 474.59624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O4S2/c1-3-26-19-10-9-16(32(28,29)25-12-5-4-6-13-25)14-18(19)24-20(26)15-30-22(27)17-8-7-11-23-21(17)31-2/h7-11,14H,3-6,12-13,15H2,1-2H3