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

Systemtic Name: (6-methyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)-(4-phenylpiperazin-1-yl)methanone Openeye Name: (6-methyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)-(4-phenylpiperazin-1-yl)methanone CAS Name: (6-methyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)-(4-phenyl-1-piperazinyl)methanone IUPAC Name: (6-methyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)-(4-phenylpiperazin-1-yl)methanone Traditional Name: (4-mesyl-6-methyl-2,3-dihydro-1,4-benzoxazin-2-yl)-(4-phenylpiperazino)methanone Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(CN2S(=O)(=O)C)C(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)OC(CN2S(=O)(=O)C)C(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H25N3O4S/c1-16-8-9-19-18(14-16)24(29(2,26)27)15-20(28-19)21(25)23-12-10-22(11-13-23)17-6-4-3-5-7-17/h3-9,14,20H,10-13,15H2,1-2H3