(2,3-dimethylquinoxalin-6-yl)-[3-(5-methylsulfonylpyrimidin-4-yl)piperidin-1-yl]methanone

Systemtic Name: (2,3-dimethylquinoxalin-6-yl)-[3-(5-methylsulfonylpyrimidin-4-yl)piperidin-1-yl]methanone Openeye Name: (2,3-dimethylquinoxalin-6-yl)-[3-(5-methylsulfonylpyrimidin-4-yl)-1-piperidyl]methanone CAS Name: (2,3-dimethyl-6-quinoxalinyl)-[3-(5-methylsulfonyl-4-pyrimidinyl)-1-piperidinyl]methanone IUPAC Name: (2,3-dimethylquinoxalin-6-yl)-[3-(5-methylsulfonylpyrimidin-4-yl)piperidin-1-yl]methanone Traditional Name: (2,3-dimethylquinoxalin-6-yl)-[3-(5-mesylpyrimidin-4-yl)piperidino]methanone Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)C(=O)N3CCCC(C3)C4=NC=NC=C4S(=O)(=O)C)N=C1C

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)C(=O)N3CCCC(C3)C4=NC=NC=C4S(=O)(=O)C)N=C1C

InChI

InChI=1S/C21H23N5O3S/c1-13-14(2)25-18-9-15(6-7-17(18)24-13)21(27)26-8-4-5-16(11-26)20-19(30(3,28)29)10-22-12-23-20/h6-7,9-10,12,16H,4-5,8,11H2,1-3H3