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

Systemtic Name: (6-chloranyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)-[4-(phenylsulfonyl)piperazin-1-yl]methanone Openeye Name: [4-(benzenesulfonyl)piperazin-1-yl]-(6-chloro-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanone CAS Name: [4-(benzenesulfonyl)-1-piperazinyl]-(6-chloro-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanone IUPAC Name: [4-(benzenesulfonyl)piperazin-1-yl]-(6-chloro-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanone Traditional Name: (4-besylpiperazino)-(6-chloro-4-mesyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanone Formula: C20H22ClN3O6S2 MolecularWeight: 499.98818

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC(OC2=C1C=C(C=C2)Cl)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)N1CC(OC2=C1C=C(C=C2)Cl)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H22ClN3O6S2/c1-31(26,27)24-14-19(30-18-8-7-15(21)13-17(18)24)20(25)22-9-11-23(12-10-22)32(28,29)16-5-3-2-4-6-16/h2-8,13,19H,9-12,14H2,1H3