N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(methylsulfonylmethyl)benzamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(methylsulfonylmethyl)benzamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(methylsulfonylmethyl)benzamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-(methylsulfonylmethyl)benzamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-(methylsulfonylmethyl)benzamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-(mesylmethyl)benzamide Formula: C20H23N3O3S2 MolecularWeight: 417.54492

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)C3=CC(=CC=C3)CS(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O3S2/c1-27-11-10-18(19-21-16-8-3-4-9-17(16)22-19)23-20(24)15-7-5-6-14(12-15)13-28(2,25)26/h3-9,12,18H,10-11,13H2,1-2H3,(H,21,22)(H,23,24)/t18-/m0/s1