6-nitro-3-[2-oxidanylidene-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]-1,3-benzoxazol-2-one

Systemtic Name: 6-nitro-3-[2-oxidanylidene-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]-1,3-benzoxazol-2-one Openeye Name: 3-[2-[4-(4-isopropylphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]-6-nitro-1,3-benzoxazol-2-one CAS Name: 6-nitro-3-[2-oxo-2-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazinyl]ethyl]-1,3-benzoxazol-2-one IUPAC Name: 6-nitro-3-[2-oxo-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]-1,3-benzoxazol-2-one Traditional Name: 3-[2-keto-2-(4-p-cumenylsulfonylpiperazino)ethyl]-6-nitro-1,3-benzoxazol-2-one Formula: C22H24N4O7S MolecularWeight: 488.51356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C22H24N4O7S/c1-15(2)16-3-6-18(7-4-16)34(31,32)24-11-9-23(10-12-24)21(27)14-25-19-8-5-17(26(29)30)13-20(19)33-22(25)28/h3-8,13,15H,9-12,14H2,1-2H3