3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate

Systemtic Name: 3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate Openeye Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate CAS Name: 3-[(2,5-dimethylphenyl)sulfonylamino]propanoic acid 3-(2-oxo-3H-benzimidazol-1-yl)propyl ester IUPAC Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate Traditional Name: 3-[(2,5-dimethylphenyl)sulfonylamino]propionic acid 3-(2-keto-3H-benzimidazol-1-yl)propyl ester Formula: C21H25N3O5S MolecularWeight: 431.5053

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)NCCC(=O)OCCCN2C3=CC=CC=C3NC2=O

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)NCCC(=O)OCCCN2C3=CC=CC=C3NC2=O

InChI

InChI=1S/C21H25N3O5S/c1-15-8-9-16(2)19(14-15)30(27,28)22-11-10-20(25)29-13-5-12-24-18-7-4-3-6-17(18)23-21(24)26/h3-4,6-9,14,22H,5,10-13H2,1-2H3,(H,23,26)