2-[(4-phenylsulfanylphenyl)sulfonyl-(1-sulfanylpropan-2-yl)amino]ethanoic acid

Systemtic Name: 2-[(4-phenylsulfanylphenyl)sulfonyl-(1-sulfanylpropan-2-yl)amino]ethanoic acid Openeye Name: 2-[(1-methyl-2-sulfanyl-ethyl)-(4-phenylsulfanylphenyl)sulfonyl-amino]acetic acid CAS Name: 2-[1-mercaptopropan-2-yl-[4-(phenylthio)phenyl]sulfonylamino]acetic acid IUPAC Name: 2-[(4-phenylsulfanylphenyl)sulfonyl-(1-sulfanylpropan-2-yl)amino]acetic acid Traditional Name: 2-[(2-mercapto-1-methyl-ethyl)-[4-(phenylthio)phenyl]sulfonyl-amino]acetic acid Formula: C17H19NO4S3 MolecularWeight: 397.53206

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)N(CC(=O)O)S(=O)(=O)C1=CC=C(C=C1)SC2=CC=CC=C2

Isomeric SMILES

CC(CS)N(CC(=O)O)S(=O)(=O)C1=CC=C(C=C1)SC2=CC=CC=C2

InChI

InChI=1S/C17H19NO4S3/c1-13(12-23)18(11-17(19)20)25(21,22)16-9-7-15(8-10-16)24-14-5-3-2-4-6-14/h2-10,13,23H,11-12H2,1H3,(H,19,20)