N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-[methyl(p-tolylsulfonyl)amino]acetamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-[methyl(tosyl)amino]acetamide Formula: C21H26N4O3S2 MolecularWeight: 446.58614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NC(CCSC)C2=NC3=CC=CC=C3N2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)N[C@@H](CCSC)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C21H26N4O3S2/c1-15-8-10-16(11-9-15)30(27,28)25(2)14-20(26)22-19(12-13-29-3)21-23-17-6-4-5-7-18(17)24-21/h4-11,19H,12-14H2,1-3H3,(H,22,26)(H,23,24)/t19-/m0/s1