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

Systemtic Name: [4-(2-methoxyphenyl)piperazin-1-yl]-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanone Openeye Name: [4-(2-methoxyphenyl)piperazin-1-yl]-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanone CAS Name: [4-(2-methoxyphenyl)-1-piperazinyl]-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanone IUPAC Name: [4-(2-methoxyphenyl)piperazin-1-yl]-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanone Traditional Name: (4-mesyl-2,3-dihydro-1,4-benzoxazin-2-yl)-[4-(2-methoxyphenyl)piperazino]methanone Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=O)C3CN(C4=CC=CC=C4O3)S(=O)(=O)C

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=O)C3CN(C4=CC=CC=C4O3)S(=O)(=O)C

InChI

InChI=1S/C21H25N3O5S/c1-28-18-9-5-3-7-16(18)22-11-13-23(14-12-22)21(25)20-15-24(30(2,26)27)17-8-4-6-10-19(17)29-20/h3-10,20H,11-15H2,1-2H3