3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 2-(thiophen-2-ylsulfonylamino)benzoate

Systemtic Name: 3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 2-(thiophen-2-ylsulfonylamino)benzoate Openeye Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 2-(2-thienylsulfonylamino)benzoate CAS Name: 2-(thiophen-2-ylsulfonylamino)benzoic acid 3-(2-oxo-3H-benzimidazol-1-yl)propyl ester IUPAC Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 2-(thiophen-2-ylsulfonylamino)benzoate Traditional Name: 2-(2-thienylsulfonylamino)benzoic acid 3-(2-keto-3H-benzimidazol-1-yl)propyl ester Formula: C21H19N3O5S2 MolecularWeight: 457.52266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCCCN2C3=CC=CC=C3NC2=O)NS(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCCCN2C3=CC=CC=C3NC2=O)NS(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H19N3O5S2/c25-20(29-13-6-12-24-18-10-4-3-9-17(18)22-21(24)26)15-7-1-2-8-16(15)23-31(27,28)19-11-5-14-30-19/h1-5,7-11,14,23H,6,12-13H2,(H,22,26)