(2,3-dimethylquinoxalin-6-yl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (2,3-dimethylquinoxalin-6-yl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (2,3-dimethylquinoxalin-6-yl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (2,3-dimethyl-6-quinoxalinyl)-[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (2,3-dimethylquinoxalin-6-yl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (2,3-dimethylquinoxalin-6-yl)-[4-(3-fluorophenyl)sulfonylpiperazino]methanone Formula: C21H21FN4O3S MolecularWeight: 428.479843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)F)N=C1C

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)F)N=C1C

InChI

InChI=1S/C21H21FN4O3S/c1-14-15(2)24-20-12-16(6-7-19(20)23-14)21(27)25-8-10-26(11-9-25)30(28,29)18-5-3-4-17(22)13-18/h3-7,12-13H,8-11H2,1-2H3