3-[2-azanyl-3-(4-fluorophenyl)sulfonyl-indol-1-yl]propanoic acid

Systemtic Name: 3-[2-azanyl-3-(4-fluorophenyl)sulfonyl-indol-1-yl]propanoic acid Openeye Name: 3-[2-amino-3-(4-fluorophenyl)sulfonyl-indol-1-yl]propanoic acid CAS Name: 3-[2-amino-3-(4-fluorophenyl)sulfonyl-1-indolyl]propanoic acid IUPAC Name: 3-[2-amino-3-(4-fluorophenyl)sulfonylindol-1-yl]propanoic acid Traditional Name: 3-[2-amino-3-(4-fluorophenyl)sulfonyl-indol-1-yl]propionic acid Formula: C17H15FN2O4S MolecularWeight: 362.375403

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(N2CCC(=O)O)N)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(N2CCC(=O)O)N)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H15FN2O4S/c18-11-5-7-12(8-6-11)25(23,24)16-13-3-1-2-4-14(13)20(17(16)19)10-9-15(21)22/h1-8H,9-10,19H2,(H,21,22)