3-[[4-(4-methylphenyl)sulfonylphenyl]carbamoylsulfanyl]propanoic acid

Systemtic Name: 3-[[4-(4-methylphenyl)sulfonylphenyl]carbamoylsulfanyl]propanoic acid Openeye Name: 3-[[4-(p-tolylsulfonyl)phenyl]carbamoylsulfanyl]propanoic acid CAS Name: 3-[[[4-(4-methylphenyl)sulfonylanilino]-oxomethyl]thio]propanoic acid IUPAC Name: 3-[[4-(4-methylphenyl)sulfonylphenyl]carbamoylsulfanyl]propanoic acid Traditional Name: 3-[(4-tosylphenyl)carbamoylthio]propionic acid Formula: C17H17NO5S2 MolecularWeight: 379.45058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO5S2/c1-12-2-6-14(7-3-12)25(22,23)15-8-4-13(5-9-15)18-17(21)24-11-10-16(19)20/h2-9H,10-11H2,1H3,(H,18,21)(H,19,20)