3-[3-[(4-fluorophenyl)methyl]-5-(phenylsulfonylamino)indol-1-yl]propanoic acid

Systemtic Name: 3-[3-[(4-fluorophenyl)methyl]-5-(phenylsulfonylamino)indol-1-yl]propanoic acid Openeye Name: 3-[5-(benzenesulfonamido)-3-[(4-fluorophenyl)methyl]indol-1-yl]propanoic acid CAS Name: 3-[5-(benzenesulfonamido)-3-[(4-fluorophenyl)methyl]-1-indolyl]propanoic acid IUPAC Name: 3-[5-(benzenesulfonamido)-3-[(4-fluorophenyl)methyl]indol-1-yl]propanoic acid Traditional Name: 3-[5-(benzenesulfonamido)-3-(4-fluorobenzyl)indol-1-yl]propionic acid Formula: C24H21FN2O4S MolecularWeight: 452.497943

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N(C=C3CC4=CC=C(C=C4)F)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N(C=C3CC4=CC=C(C=C4)F)CCC(=O)O

InChI

InChI=1S/C24H21FN2O4S/c25-19-8-6-17(7-9-19)14-18-16-27(13-12-24(28)29)23-11-10-20(15-22(18)23)26-32(30,31)21-4-2-1-3-5-21/h1-11,15-16,26H,12-14H2,(H,28,29)