(4-nitrophenyl) 3-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: (4-nitrophenyl) 3-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate Openeye Name: (4-nitrophenyl) 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(4-acetyl-1-piperazinyl)sulfonyl]benzoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-acetylpiperazino)sulfonylbenzoic acid (4-nitrophenyl) ester Formula: C19H19N3O7S MolecularWeight: 433.43506

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O7S/c1-14(23)20-9-11-21(12-10-20)30(27,28)18-4-2-3-15(13-18)19(24)29-17-7-5-16(6-8-17)22(25)26/h2-8,13H,9-12H2,1H3