N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(4-sulfamoylphenyl)propanamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(4-sulfamoylphenyl)propanamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(4-sulfamoylphenyl)propanamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-(4-sulfamoylphenyl)propanamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-(4-sulfamoylphenyl)propanamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-(4-sulfamoylphenyl)propionamide Formula: C20H24N4O3S2 MolecularWeight: 432.55956

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CSCC[C@@H](C1=NC2=CC=CC=C2N1)NC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C20H24N4O3S2/c1-28-13-12-18(20-23-16-4-2-3-5-17(16)24-20)22-19(25)11-8-14-6-9-15(10-7-14)29(21,26)27/h2-7,9-10,18H,8,11-13H2,1H3,(H,22,25)(H,23,24)(H2,21,26,27)/t18-/m0/s1