(6-tert-butyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone

Systemtic Name: (6-tert-butyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone Openeye Name: (6-tert-butyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone CAS Name: (6-tert-butyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)-[4-(2-fluorophenyl)-1-piperazinyl]methanone IUPAC Name: (6-tert-butyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone Traditional Name: (6-tert-butyl-4-mesyl-2,3-dihydro-1,4-benzoxazin-2-yl)-[4-(2-fluorophenyl)piperazino]methanone Formula: C24H30FN3O4S MolecularWeight: 475.576103

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)OC(CN2S(=O)(=O)C)C(=O)N3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)OC(CN2S(=O)(=O)C)C(=O)N3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C24H30FN3O4S/c1-24(2,3)17-9-10-21-20(15-17)28(33(4,30)31)16-22(32-21)23(29)27-13-11-26(12-14-27)19-8-6-5-7-18(19)25/h5-10,15,22H,11-14,16H2,1-4H3