N-(4-ethoxy-3-piperidin-1-ylsulfonyl-phenyl)-2-(1-methylbenzimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-ethoxy-3-piperidin-1-ylsulfonyl-phenyl)-2-(1-methylbenzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-[4-ethoxy-3-(1-piperidylsulfonyl)phenyl]-2-(1-methylbenzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-[4-ethoxy-3-(1-piperidinylsulfonyl)phenyl]-2-[(1-methyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-(4-ethoxy-3-piperidinosulfonyl-phenyl)-2-[(1-methylbenzimidazol-2-yl)thio]acetamide Formula: C23H28N4O4S2 MolecularWeight: 488.62282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3N2C)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3N2C)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C23H28N4O4S2/c1-3-31-20-12-11-17(15-21(20)33(29,30)27-13-7-4-8-14-27)24-22(28)16-32-23-25-18-9-5-6-10-19(18)26(23)2/h5-6,9-12,15H,3-4,7-8,13-14,16H2,1-2H3,(H,24,28)