1-[4-[4-[2-(2-methoxyethylamino)-5-nitro-phenyl]carbonylpiperazin-1-yl]sulfonylphenyl]ethanone

Systemtic Name: 1-[4-[4-[2-(2-methoxyethylamino)-5-nitro-phenyl]carbonylpiperazin-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[4-[4-[2-(2-methoxyethylamino)-5-nitro-benzoyl]piperazin-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[4-[[4-[[2-(2-methoxyethylamino)-5-nitrophenyl]-oxomethyl]-1-piperazinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[2-(2-methoxyethylamino)-5-nitrobenzoyl]piperazin-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[4-[4-[2-(2-methoxyethylamino)-5-nitro-benzoyl]piperazino]sulfonylphenyl]ethanone Formula: C22H26N4O7S MolecularWeight: 490.52944

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NCCOC

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NCCOC

InChI

InChI=1S/C22H26N4O7S/c1-16(27)17-3-6-19(7-4-17)34(31,32)25-12-10-24(11-13-25)22(28)20-15-18(26(29)30)5-8-21(20)23-9-14-33-2/h3-8,15,23H,9-14H2,1-2H3