methyl 3-[3-(phenylsulfonylamino)quinoxalin-2-yl]sulfanylpropanoate

Systemtic Name: methyl 3-[3-(phenylsulfonylamino)quinoxalin-2-yl]sulfanylpropanoate Openeye Name: methyl 3-[3-(benzenesulfonamido)quinoxalin-2-yl]sulfanylpropanoate CAS Name: 3-[[3-(benzenesulfonamido)-2-quinoxalinyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[3-(benzenesulfonamido)quinoxalin-2-yl]sulfanylpropanoate Traditional Name: 3-[[3-(benzenesulfonamido)quinoxalin-2-yl]thio]propionic acid methyl ester Formula: C18H17N3O4S2 MolecularWeight: 403.47528

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC1=NC2=CC=CC=C2N=C1NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)CCSC1=NC2=CC=CC=C2N=C1NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H17N3O4S2/c1-25-16(22)11-12-26-18-17(19-14-9-5-6-10-15(14)20-18)21-27(23,24)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,19,21)