2-[(4-acetamidophenyl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoic acid

Systemtic Name: 2-[(4-acetamidophenyl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoic acid Openeye Name: 2-[(4-acetamidophenyl)sulfonylamino]-3-benzylsulfanyl-propanoic acid CAS Name: 2-[(4-acetamidophenyl)sulfonylamino]-3-(phenylmethylthio)propanoic acid IUPAC Name: 2-[(4-acetamidophenyl)sulfonylamino]-3-benzylsulfanylpropanoic acid Traditional Name: 2-[(4-acetamidophenyl)sulfonylamino]-3-(benzylthio)propionic acid Formula: C18H20N2O5S2 MolecularWeight: 408.4918

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(CSCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(CSCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C18H20N2O5S2/c1-13(21)19-15-7-9-16(10-8-15)27(24,25)20-17(18(22)23)12-26-11-14-5-3-2-4-6-14/h2-10,17,20H,11-12H2,1H3,(H,19,21)(H,22,23)