[5-(dimethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]methyl 3-(pyridin-3-ylsulfonylamino)propanoate

Systemtic Name: [5-(dimethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]methyl 3-(pyridin-3-ylsulfonylamino)propanoate Openeye Name: [5-(dimethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]methyl 3-(3-pyridylsulfonylamino)propanoate CAS Name: 3-(3-pyridinylsulfonylamino)propanoic acid [5-(dimethylsulfamoyl)-1-ethyl-2-benzimidazolyl]methyl ester IUPAC Name: [5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 3-(pyridin-3-ylsulfonylamino)propanoate Traditional Name: 3-(3-pyridylsulfonylamino)propionic acid [5-(dimethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]methyl ester Formula: C20H25N5O6S2 MolecularWeight: 495.5724

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1COC(=O)CCNS(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1COC(=O)CCNS(=O)(=O)C3=CN=CC=C3

InChI

InChI=1S/C20H25N5O6S2/c1-4-25-18-8-7-15(33(29,30)24(2)3)12-17(18)23-19(25)14-31-20(26)9-11-22-32(27,28)16-6-5-10-21-13-16/h5-8,10,12-13,22H,4,9,11,14H2,1-3H3