4-(4-aminophenyl)sulfonylaniline; 2-azanyl-3-(3-fluorophenyl)propanoic acid

Systemtic Name: 4-(4-aminophenyl)sulfonylaniline; 2-azanyl-3-(3-fluorophenyl)propanoic acid Openeye Name: 2-amino-3-(3-fluorophenyl)propanoic acid; 4-(4-aminophenyl)sulfonylaniline CAS Name: 2-amino-3-(3-fluorophenyl)propanoic acid; 4-(4-aminophenyl)sulfonylaniline IUPAC Name: 2-amino-3-(3-fluorophenyl)propanoic acid; 4-(4-aminophenyl)sulfonylaniline Traditional Name: 2-amino-3-(3-fluorophenyl)propionic acid; (4-sulfanilylphenyl)amine Formula: C21H22FN3O4S MolecularWeight: 431.480483

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)CC(C(=O)O)N.C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)N

Isomeric SMILES

C1=CC(=CC(=C1)F)CC(C(=O)O)N.C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C12H12N2O2S.C9H10FNO2/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12;10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-8H,13-14H2;1-4,8H,5,11H2,(H,12,13)