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

Systemtic Name: 4-(4-methylsulfanyl-3-piperidin-1-ylcarbonyl-phenyl)sulfonyl-1,3-dihydroquinoxalin-2-one Openeye Name: 4-[4-methylsulfanyl-3-(piperidine-1-carbonyl)phenyl]sulfonyl-1,3-dihydroquinoxalin-2-one CAS Name: 4-[4-(methylthio)-3-[oxo(1-piperidinyl)methyl]phenyl]sulfonyl-1,3-dihydroquinoxalin-2-one IUPAC Name: 4-[4-methylsulfanyl-3-(piperidine-1-carbonyl)phenyl]sulfonyl-1,3-dihydroquinoxalin-2-one Traditional Name: 4-[4-(methylthio)-3-(piperidine-1-carbonyl)phenyl]sulfonyl-1,3-dihydroquinoxalin-2-one Formula: C21H23N3O4S2 MolecularWeight: 445.55502

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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)N4CCCCC4

Isomeric SMILES

CSC1=C(C=C(C=C1)S(=O)(=O)N2CC(=O)NC3=CC=CC=C32)C(=O)N4CCCCC4

InChI

InChI=1S/C21H23N3O4S2/c1-29-19-10-9-15(13-16(19)21(26)23-11-5-2-6-12-23)30(27,28)24-14-20(25)22-17-7-3-4-8-18(17)24/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3,(H,22,25)