N-[(2R)-2-phenylbutyl]-2-(1-propyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(2R)-2-phenylbutyl]-2-(1-propyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-[(2R)-2-phenylbutyl]-2-(1-propyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-[(2R)-2-phenylbutyl]-2-[(1-propyl-5-sulfamoyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-[(2R)-2-phenylbutyl]-2-(1-propyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-[(2R)-2-phenylbutyl]-2-[(1-propyl-5-sulfamoyl-benzimidazol-2-yl)thio]acetamide Formula: C22H28N4O3S2 MolecularWeight: 460.61272

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)NCC(CC)C3=CC=CC=C3

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)NC[C@H](CC)C3=CC=CC=C3

InChI

InChI=1S/C22H28N4O3S2/c1-3-12-26-20-11-10-18(31(23,28)29)13-19(20)25-22(26)30-15-21(27)24-14-16(4-2)17-8-6-5-7-9-17/h5-11,13,16H,3-4,12,14-15H2,1-2H3,(H,24,27)(H2,23,28,29)/t16-/m0/s1