2-[[4-(2-methylphenoxy)phenyl]sulfonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: 2-[[4-(2-methylphenoxy)phenyl]sulfonylamino]-4-methylsulfanyl-butanoate Openeye Name: 2-[[4-(2-methylphenoxy)phenyl]sulfonylamino]-4-methylsulfanyl-butanoate CAS Name: 2-[[4-(2-methylphenoxy)phenyl]sulfonylamino]-4-(methylthio)butanoate IUPAC Name: 2-[[4-(2-methylphenoxy)phenyl]sulfonylamino]-4-methylsulfanylbutanoate Traditional Name: 2-[[4-(2-methylphenoxy)phenyl]sulfonylamino]-4-(methylthio)butyrate Formula: C18H20NO5S2- MolecularWeight: 394.4851

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC2=CC=C(C=C2)S(=O)(=O)NC(CCSC)C(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1OC2=CC=C(C=C2)S(=O)(=O)NC(CCSC)C(=O)[O-]

InChI

InChI=1S/C18H21NO5S2/c1-13-5-3-4-6-17(13)24-14-7-9-15(10-8-14)26(22,23)19-16(18(20)21)11-12-25-2/h3-10,16,19H,11-12H2,1-2H3,(H,20,21)/p-1