N-[3-azanyl-3-[2-(2-hydroxyethyl)-5-methoxy-phenyl]-4H-quinoxalin-2-yl]-3-methylsulfanyl-propane-1-sulfonamide

Systemtic Name: N-[3-azanyl-3-[2-(2-hydroxyethyl)-5-methoxy-phenyl]-4H-quinoxalin-2-yl]-3-methylsulfanyl-propane-1-sulfonamide Openeye Name: N-[3-amino-3-[2-(2-hydroxyethyl)-5-methoxy-phenyl]-4H-quinoxalin-2-yl]-3-methylsulfanyl-propane-1-sulfonamide CAS Name: N-[3-amino-3-[2-(2-hydroxyethyl)-5-methoxyphenyl]-4H-quinoxalin-2-yl]-3-(methylthio)-1-propanesulfonamide IUPAC Name: N-[3-amino-3-[2-(2-hydroxyethyl)-5-methoxyphenyl]-4H-quinoxalin-2-yl]-3-methylsulfanylpropane-1-sulfonamide Traditional Name: N-[3-amino-3-[2-(2-hydroxyethyl)-5-methoxy-phenyl]-4H-quinoxalin-2-yl]-3-(methylthio)propane-1-sulfonamide Formula: C21H28N4O4S2 MolecularWeight: 464.60142

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CCO)C2(C(=NC3=CC=CC=C3N2)NS(=O)(=O)CCCSC)N

Isomeric SMILES

COC1=CC(=C(C=C1)CCO)C2(C(=NC3=CC=CC=C3N2)NS(=O)(=O)CCCSC)N

InChI

InChI=1S/C21H28N4O4S2/c1-29-16-9-8-15(10-11-26)17(14-16)21(22)20(25-31(27,28)13-5-12-30-2)23-18-6-3-4-7-19(18)24-21/h3-4,6-9,14,24,26H,5,10-13,22H2,1-2H3,(H,23,25)