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

Systemtic Name: (6-tert-butyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone Openeye Name: (6-tert-butyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone CAS Name: (6-tert-butyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)-[4-(4-methoxyphenyl)-1-piperazinyl]methanone IUPAC Name: (6-tert-butyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone Traditional Name: (6-tert-butyl-4-mesyl-2,3-dihydro-1,4-benzoxazin-2-yl)-[4-(4-methoxyphenyl)piperazino]methanone Formula: C25H33N3O5S MolecularWeight: 487.61162

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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=C(C=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3O5S/c1-25(2,3)18-6-11-22-21(16-18)28(34(5,30)31)17-23(33-22)24(29)27-14-12-26(13-15-27)19-7-9-20(32-4)10-8-19/h6-11,16,23H,12-15,17H2,1-5H3