4-[1-(4-methylsulfanylphenyl)sulfonylpiperidin-4-yl]carbonyl-1,3-dihydroquinoxalin-2-one

Systemtic Name: 4-[1-(4-methylsulfanylphenyl)sulfonylpiperidin-4-yl]carbonyl-1,3-dihydroquinoxalin-2-one Openeye Name: 4-[1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one CAS Name: 4-[[1-[4-(methylthio)phenyl]sulfonyl-4-piperidinyl]-oxomethyl]-1,3-dihydroquinoxalin-2-one IUPAC Name: 4-[1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one Traditional Name: 4-[1-[4-(methylthio)phenyl]sulfonylisonipecotoyl]-1,3-dihydroquinoxalin-2-one Formula: C21H23N3O4S2 MolecularWeight: 445.55502

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CC(=O)NC4=CC=CC=C43

Isomeric SMILES

CSC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CC(=O)NC4=CC=CC=C43

InChI

InChI=1S/C21H23N3O4S2/c1-29-16-6-8-17(9-7-16)30(27,28)23-12-10-15(11-13-23)21(26)24-14-20(25)22-18-4-2-3-5-19(18)24/h2-9,15H,10-14H2,1H3,(H,22,25)