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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3CN(C4=CC=CC=C4O3)S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3CN(C4=CC=CC=C4O3)S(=O)(=O)C

InChI

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