(6-tert-butyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)-(4-phenylpiperazin-1-yl)methanone

Systemtic Name: (6-tert-butyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)-(4-phenylpiperazin-1-yl)methanone Openeye Name: (6-tert-butyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)-(4-phenylpiperazin-1-yl)methanone CAS Name: (6-tert-butyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)-(4-phenyl-1-piperazinyl)methanone IUPAC Name: (6-tert-butyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)-(4-phenylpiperazin-1-yl)methanone Traditional Name: (6-tert-butyl-4-mesyl-2,3-dihydro-1,4-benzoxazin-2-yl)-(4-phenylpiperazino)methanone Formula: C24H31N3O4S MolecularWeight: 457.58564

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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=C4

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O4S/c1-24(2,3)18-10-11-21-20(16-18)27(32(4,29)30)17-22(31-21)23(28)26-14-12-25(13-15-26)19-8-6-5-7-9-19/h5-11,16,22H,12-15,17H2,1-4H3