N-[3-[[5-methoxy-2-(2-methylsulfonylethyl)phenyl]amino]quinoxalin-2-yl]-3-methylsulfanyl-propane-1-sulfonamide

Systemtic Name: N-[3-[[5-methoxy-2-(2-methylsulfonylethyl)phenyl]amino]quinoxalin-2-yl]-3-methylsulfanyl-propane-1-sulfonamide Openeye Name: N-[3-[5-methoxy-2-(2-methylsulfonylethyl)anilino]quinoxalin-2-yl]-3-methylsulfanyl-propane-1-sulfonamide CAS Name: N-[3-[5-methoxy-2-(2-methylsulfonylethyl)anilino]-2-quinoxalinyl]-3-(methylthio)-1-propanesulfonamide IUPAC Name: N-[3-[5-methoxy-2-(2-methylsulfonylethyl)anilino]quinoxalin-2-yl]-3-methylsulfanylpropane-1-sulfonamide Traditional Name: N-[3-[2-(2-mesylethyl)-5-methoxy-anilino]quinoxalin-2-yl]-3-(methylthio)propane-1-sulfonamide Formula: C22H28N4O5S3 MolecularWeight: 524.67652

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CCS(=O)(=O)C)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)CCCSC

Isomeric SMILES

COC1=CC(=C(C=C1)CCS(=O)(=O)C)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)CCCSC

InChI

InChI=1S/C22H28N4O5S3/c1-31-17-10-9-16(11-14-33(3,27)28)20(15-17)25-21-22(26-34(29,30)13-6-12-32-2)24-19-8-5-4-7-18(19)23-21/h4-5,7-10,15H,6,11-14H2,1-3H3,(H,23,25)(H,24,26)