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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=CC(=CC(=C1)C(C)NS(=O)(=O)C2=CC=CC=C2)CN3C=CN=C3

Isomeric SMILES

CCOC(=O)CCC1=CC(=CC(=C1)C(C)NS(=O)(=O)C2=CC=CC=C2)CN3C=CN=C3

InChI

InChI=1S/C23H27N3O4S/c1-3-30-23(27)10-9-19-13-20(16-26-12-11-24-17-26)15-21(14-19)18(2)25-31(28,29)22-7-5-4-6-8-22/h4-8,11-15,17-18,25H,3,9-10,16H2,1-2H3