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

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-4-methylsulfonyl-benzamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-4-methylsulfonyl-benzamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-4-methylsulfonylbenzamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-4-methylsulfonylbenzamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-4-mesyl-benzamide Formula: C19H21N3O3S2 MolecularWeight: 403.51834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O3S2/c1-26-12-11-17(18-20-15-5-3-4-6-16(15)21-18)22-19(23)13-7-9-14(10-8-13)27(2,24)25/h3-10,17H,11-12H2,1-2H3,(H,20,21)(H,22,23)/t17-/m0/s1