methyl 1-[2-[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanylethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(1-benzyl-5-chloro-benzimidazol-2-yl)sulfanylacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[[5-chloro-1-(phenylmethyl)-2-benzimidazolyl]thio]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(1-benzyl-5-chloro-benzimidazol-2-yl)thio]acetyl]isonipecotic acid methyl ester Formula: C23H24ClN3O3S MolecularWeight: 457.97296

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)CSC2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)Cl

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)CSC2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)Cl

InChI

InChI=1S/C23H24ClN3O3S/c1-30-22(29)17-9-11-26(12-10-17)21(28)15-31-23-25-19-13-18(24)7-8-20(19)27(23)14-16-5-3-2-4-6-16/h2-8,13,17H,9-12,14-15H2,1H3