(2R)-2-acetamido-3-sulfanyl-propanoic acid; 4-(4-aminophenyl)sulfonylaniline

Systemtic Name: (2R)-2-acetamido-3-sulfanyl-propanoic acid; 4-(4-aminophenyl)sulfonylaniline Openeye Name: (2R)-2-acetamido-3-sulfanyl-propanoic acid; 4-(4-aminophenyl)sulfonylaniline CAS Name: (2R)-2-acetamido-3-mercaptopropanoic acid; 4-(4-aminophenyl)sulfonylaniline IUPAC Name: (2R)-2-acetamido-3-sulfanylpropanoic acid; 4-(4-aminophenyl)sulfonylaniline Traditional Name: (2R)-2-acetamido-3-mercapto-propionic acid; (4-sulfanilylphenyl)amine Formula: C17H21N3O5S2 MolecularWeight: 411.49574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)N[C@@H](CS)C(=O)O.C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C12H12N2O2S.C5H9NO3S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12;1-3(7)6-4(2-10)5(8)9/h1-8H,13-14H2;4,10H,2H2,1H3,(H,6,7)(H,8,9)/t;4-/m.0/s1