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

Systemtic Name: 3-[3-(imidazol-1-ylmethyl)-5-[2-(phenylsulfonylamino)ethyl]phenyl]propanoic acid Openeye Name: 3-[3-[2-(benzenesulfonamido)ethyl]-5-(imidazol-1-ylmethyl)phenyl]propanoic acid CAS Name: 3-[3-[2-(benzenesulfonamido)ethyl]-5-(1-imidazolylmethyl)phenyl]propanoic acid IUPAC Name: 3-[3-[2-(benzenesulfonamido)ethyl]-5-(imidazol-1-ylmethyl)phenyl]propanoic acid Traditional Name: 3-[3-[2-(benzenesulfonamido)ethyl]-5-(imidazol-1-ylmethyl)phenyl]propionic acid Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NCCC2=CC(=CC(=C2)CCC(=O)O)CN3C=CN=C3

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NCCC2=CC(=CC(=C2)CCC(=O)O)CN3C=CN=C3

InChI

InChI=1S/C21H23N3O4S/c25-21(26)7-6-17-12-18(14-19(13-17)15-24-11-10-22-16-24)8-9-23-29(27,28)20-4-2-1-3-5-20/h1-5,10-14,16,23H,6-9,15H2,(H,25,26)