(6-methyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)-[4-(phenylmethyl)piperazin-1-yl]methanone

Systemtic Name: (6-methyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-(6-methyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanone CAS Name: (6-methyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-(6-methyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanone Traditional Name: (4-benzylpiperazino)-(4-mesyl-6-methyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanone Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(CN2S(=O)(=O)C)C(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)OC(CN2S(=O)(=O)C)C(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H27N3O4S/c1-17-8-9-20-19(14-17)25(30(2,27)28)16-21(29-20)22(26)24-12-10-23(11-13-24)15-18-6-4-3-5-7-18/h3-9,14,21H,10-13,15-16H2,1-2H3