ethyl 3-bromanyl-4-[4-(4-nitrophenyl)piperazin-1-yl]sulfonyl-benzoate

Systemtic Name: ethyl 3-bromanyl-4-[4-(4-nitrophenyl)piperazin-1-yl]sulfonyl-benzoate Openeye Name: ethyl 3-bromo-4-[4-(4-nitrophenyl)piperazin-1-yl]sulfonyl-benzoate CAS Name: 3-bromo-4-[[4-(4-nitrophenyl)-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-bromo-4-[4-(4-nitrophenyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 3-bromo-4-[4-(4-nitrophenyl)piperazino]sulfonyl-benzoic acid ethyl ester Formula: C19H20BrN3O6S MolecularWeight: 498.3476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrN3O6S/c1-2-29-19(24)14-3-8-18(17(20)13-14)30(27,28)22-11-9-21(10-12-22)15-4-6-16(7-5-15)23(25)26/h3-8,13H,2,9-12H2,1H3