2-azanyl-3-(5-oxidanyl-1H-indol-3-yl)propanoic acid; 1-ethylsulfonyl-4-fluoranyl-benzene

Systemtic Name: 2-azanyl-3-(5-oxidanyl-1H-indol-3-yl)propanoic acid; 1-ethylsulfonyl-4-fluoranyl-benzene Openeye Name: 2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid; 1-ethylsulfonyl-4-fluoro-benzene CAS Name: 2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid; 1-ethylsulfonyl-4-fluorobenzene IUPAC Name: 2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid; 1-ethylsulfonyl-4-fluorobenzene Traditional Name: 2-amino-3-(5-hydroxy-1H-indol-3-yl)propionic acid; 1-esyl-4-fluoro-benzene Formula: C19H21FN2O5S MolecularWeight: 408.443843

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=C(C=C1)F.C1=CC2=C(C=C1O)C(=CN2)CC(C(=O)O)N

Isomeric SMILES

CCS(=O)(=O)C1=CC=C(C=C1)F.C1=CC2=C(C=C1O)C(=CN2)CC(C(=O)O)N

InChI

InChI=1S/C11H12N2O3.C8H9FO2S/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10;1-2-12(10,11)8-5-3-7(9)4-6-8/h1-2,4-5,9,13-14H,3,12H2,(H,15,16);3-6H,2H2,1H3