N-[4-[(2S)-2-(1-propyl-5-sulfamoyl-benzimidazol-2-yl)sulfanylpropanoyl]phenyl]butanamide

Systemtic Name: N-[4-[(2S)-2-(1-propyl-5-sulfamoyl-benzimidazol-2-yl)sulfanylpropanoyl]phenyl]butanamide Openeye Name: N-[4-[(2S)-2-(1-propyl-5-sulfamoyl-benzimidazol-2-yl)sulfanylpropanoyl]phenyl]butanamide CAS Name: N-[4-[(2S)-1-oxo-2-[(1-propyl-5-sulfamoyl-2-benzimidazolyl)thio]propyl]phenyl]butanamide IUPAC Name: N-[4-[(2S)-2-(1-propyl-5-sulfamoylbenzimidazol-2-yl)sulfanylpropanoyl]phenyl]butanamide Traditional Name: N-[4-[(2S)-2-[(1-propyl-5-sulfamoyl-benzimidazol-2-yl)thio]propanoyl]phenyl]butyramide Formula: C23H28N4O4S2 MolecularWeight: 488.62282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)C(C)SC2=NC3=C(N2CCC)C=CC(=C3)S(=O)(=O)N

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)[C@H](C)SC2=NC3=C(N2CCC)C=CC(=C3)S(=O)(=O)N

InChI

InChI=1S/C23H28N4O4S2/c1-4-6-21(28)25-17-9-7-16(8-10-17)22(29)15(3)32-23-26-19-14-18(33(24,30)31)11-12-20(19)27(23)13-5-2/h7-12,14-15H,4-6,13H2,1-3H3,(H,25,28)(H2,24,30,31)/t15-/m0/s1