ethyl 3-[3-(imidazol-1-ylmethyl)-5-[2-(phenylsulfonylamino)ethyl]phenyl]propanoate

Systemtic Name: ethyl 3-[3-(imidazol-1-ylmethyl)-5-[2-(phenylsulfonylamino)ethyl]phenyl]propanoate Openeye Name: ethyl 3-[3-[2-(benzenesulfonamido)ethyl]-5-(imidazol-1-ylmethyl)phenyl]propanoate CAS Name: 3-[3-[2-(benzenesulfonamido)ethyl]-5-(1-imidazolylmethyl)phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[3-[2-(benzenesulfonamido)ethyl]-5-(imidazol-1-ylmethyl)phenyl]propanoate Traditional Name: 3-[3-[2-(benzenesulfonamido)ethyl]-5-(imidazol-1-ylmethyl)phenyl]propionic acid ethyl ester Formula: C23H27N3O4S MolecularWeight: 441.54318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=CC(=CC(=C1)CN2C=CN=C2)CCNS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCC1=CC(=CC(=C1)CN2C=CN=C2)CCNS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H27N3O4S/c1-2-30-23(27)9-8-19-14-20(16-21(15-19)17-26-13-12-24-18-26)10-11-25-31(28,29)22-6-4-3-5-7-22/h3-7,12-16,18,25H,2,8-11,17H2,1H3