ethyl 4-[4-(2-nitrophenyl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-(2-nitrophenyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-(2-nitrophenyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-(2-nitrophenyl)-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(2-nitrophenyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(2-nitrophenyl)piperazino]sulfonylbenzoic acid ethyl ester Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O6S/c1-2-28-19(23)15-7-9-16(10-8-15)29(26,27)21-13-11-20(12-14-21)17-5-3-4-6-18(17)22(24)25/h3-10H,2,11-14H2,1H3