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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC(=C1)CN2C=CN=C2)CCC(=O)O)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C1=CC(=CC(=C1)CN2C=CN=C2)CCC(=O)O)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H23N3O4S/c1-16(23-29(27,28)20-5-3-2-4-6-20)19-12-17(7-8-21(25)26)11-18(13-19)14-24-10-9-22-15-24/h2-6,9-13,15-16,23H,7-8,14H2,1H3,(H,25,26)