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

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]propionamide Formula: C22H28N4O5S2 MolecularWeight: 492.61152

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)NC(CCSC)C2=NC3=CC=CC=C3N2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)N[C@@H](CCSC)C2=NC3=CC=CC=C3N2)OC

InChI

InChI=1S/C22H28N4O5S2/c1-30-19-9-8-15(14-20(19)31-2)33(28,29)23-12-10-21(27)24-18(11-13-32-3)22-25-16-6-4-5-7-17(16)26-22/h4-9,14,18,23H,10-13H2,1-3H3,(H,24,27)(H,25,26)/t18-/m0/s1