2-[[4-(4-methylphenyl)sulfanylphenyl]sulfonylamino]propanoic acid

Systemtic Name: 2-[[4-(4-methylphenyl)sulfanylphenyl]sulfonylamino]propanoic acid Openeye Name: 2-[[4-(p-tolylsulfanyl)phenyl]sulfonylamino]propanoic acid CAS Name: 2-[[4-[(4-methylphenyl)thio]phenyl]sulfonylamino]propanoic acid IUPAC Name: 2-[[4-(4-methylphenyl)sulfanylphenyl]sulfonylamino]propanoic acid Traditional Name: 2-[[4-(p-tolylthio)phenyl]sulfonylamino]propionic acid Formula: C16H17NO4S2 MolecularWeight: 351.44048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC=C(C=C2)S(=O)(=O)NC(C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC=C(C=C2)S(=O)(=O)NC(C)C(=O)O

InChI

InChI=1S/C16H17NO4S2/c1-11-3-5-13(6-4-11)22-14-7-9-15(10-8-14)23(20,21)17-12(2)16(18)19/h3-10,12,17H,1-2H3,(H,18,19)