N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-[(3-ethanoylphenyl)sulfonylamino]propanamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-[(3-ethanoylphenyl)sulfonylamino]propanamide Openeye Name: 3-[(3-acetylphenyl)sulfonylamino]-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]propanamide CAS Name: 3-[(3-acetylphenyl)sulfonylamino]-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]propanamide IUPAC Name: 3-[(3-acetylphenyl)sulfonylamino]-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]propanamide Traditional Name: 3-[(3-acetylphenyl)sulfonylamino]-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]propionamide Formula: C22H26N4O4S2 MolecularWeight: 474.59624

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)S(=O)(=O)NCCC(=O)NC(CCSC)C2=NC3=CC=CC=C3N2

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)S(=O)(=O)NCCC(=O)N[C@@H](CCSC)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C22H26N4O4S2/c1-15(27)16-6-5-7-17(14-16)32(29,30)23-12-10-21(28)24-20(11-13-31-2)22-25-18-8-3-4-9-19(18)26-22/h3-9,14,20,23H,10-13H2,1-2H3,(H,24,28)(H,25,26)/t20-/m0/s1