(6-chloranyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (6-chloranyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (6-chloro-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)-[4-(p-tolylsulfonyl)piperazin-1-yl]methanone CAS Name: (6-chloro-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (6-chloro-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (6-chloro-4-mesyl-2,3-dihydro-1,4-benzoxazin-2-yl)-(4-tosylpiperazino)methanone Formula: C21H24ClN3O6S2 MolecularWeight: 514.01476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3CN(C4=C(O3)C=CC(=C4)Cl)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3CN(C4=C(O3)C=CC(=C4)Cl)S(=O)(=O)C

InChI

InChI=1S/C21H24ClN3O6S2/c1-15-3-6-17(7-4-15)33(29,30)24-11-9-23(10-12-24)21(26)20-14-25(32(2,27)28)18-13-16(22)5-8-19(18)31-20/h3-8,13,20H,9-12,14H2,1-2H3