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

Systemtic Name: (2S)-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-[(4-methylphenyl)sulfonylamino]propanamide Openeye Name: (2S)-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(p-tolylsulfonylamino)propanamide CAS Name: (2S)-N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-[(4-methylphenyl)sulfonylamino]propanamide IUPAC Name: (2S)-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-[(4-methylphenyl)sulfonylamino]propanamide Traditional Name: (2S)-N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-(tosylamino)propionamide Formula: C21H26N4O3S2 MolecularWeight: 446.58614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O3S2/c1-14-8-10-16(11-9-14)30(27,28)25-15(2)21(26)24-19(12-13-29-3)20-22-17-6-4-5-7-18(17)23-20/h4-11,15,19,25H,12-13H2,1-3H3,(H,22,23)(H,24,26)/t15-,19?/m0/s1