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

Systemtic Name: (6-chloranyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone Openeye Name: (6-chloro-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone CAS Name: (6-chloro-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)-[4-(2-methoxyphenyl)-1-piperazinyl]methanone IUPAC Name: (6-chloro-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone Traditional Name: (6-chloro-4-mesyl-2,3-dihydro-1,4-benzoxazin-2-yl)-[4-(2-methoxyphenyl)piperazino]methanone Formula: C21H24ClN3O5S MolecularWeight: 465.95036

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=O)C3CN(C4=C(O3)C=CC(=C4)Cl)S(=O)(=O)C

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=O)C3CN(C4=C(O3)C=CC(=C4)Cl)S(=O)(=O)C

InChI

InChI=1S/C21H24ClN3O5S/c1-29-18-6-4-3-5-16(18)23-9-11-24(12-10-23)21(26)20-14-25(31(2,27)28)17-13-15(22)7-8-19(17)30-20/h3-8,13,20H,9-12,14H2,1-2H3