4-(4-methylsulfanyl-3-pyrrolidin-1-ylcarbonyl-phenyl)sulfonyl-1,3-dihydroquinoxalin-2-one

Systemtic Name: 4-(4-methylsulfanyl-3-pyrrolidin-1-ylcarbonyl-phenyl)sulfonyl-1,3-dihydroquinoxalin-2-one Openeye Name: 4-[4-methylsulfanyl-3-(pyrrolidine-1-carbonyl)phenyl]sulfonyl-1,3-dihydroquinoxalin-2-one CAS Name: 4-[4-(methylthio)-3-[oxo(1-pyrrolidinyl)methyl]phenyl]sulfonyl-1,3-dihydroquinoxalin-2-one IUPAC Name: 4-[4-methylsulfanyl-3-(pyrrolidine-1-carbonyl)phenyl]sulfonyl-1,3-dihydroquinoxalin-2-one Traditional Name: 4-[4-(methylthio)-3-(pyrrolidine-1-carbonyl)phenyl]sulfonyl-1,3-dihydroquinoxalin-2-one Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)S(=O)(=O)N2CC(=O)NC3=CC=CC=C32)C(=O)N4CCCC4

Isomeric SMILES

CSC1=C(C=C(C=C1)S(=O)(=O)N2CC(=O)NC3=CC=CC=C32)C(=O)N4CCCC4

InChI

InChI=1S/C20H21N3O4S2/c1-28-18-9-8-14(12-15(18)20(25)22-10-4-5-11-22)29(26,27)23-13-19(24)21-16-6-2-3-7-17(16)23/h2-3,6-9,12H,4-5,10-11,13H2,1H3,(H,21,24)