4-[3-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-3-oxidanylidene-propyl]-1,4-benzoxazin-3-one

Systemtic Name: 4-[3-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-3-oxidanylidene-propyl]-1,4-benzoxazin-3-one Openeye Name: 4-[3-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-3-oxo-propyl]-1,4-benzoxazin-3-one CAS Name: 4-[3-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]-3-oxopropyl]-1,4-benzoxazin-3-one IUPAC Name: 4-[3-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]-3-oxopropyl]-1,4-benzoxazin-3-one Traditional Name: 4-[3-keto-3-[4-(4-mesyl-2-nitro-phenyl)piperazino]propyl]-1,4-benzoxazin-3-one Formula: C22H24N4O7S MolecularWeight: 488.51356

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CCN3C(=O)COC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CCN3C(=O)COC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O7S/c1-34(31,32)16-6-7-17(19(14-16)26(29)30)23-10-12-24(13-11-23)21(27)8-9-25-18-4-2-3-5-20(18)33-15-22(25)28/h2-7,14H,8-13,15H2,1H3