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

Systemtic Name: ethyl 3-bromanyl-4-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-benzoate Openeye Name: ethyl 3-bromo-4-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-benzoate CAS Name: 3-bromo-4-[[4-(3-methoxyphenyl)-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-bromo-4-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 3-bromo-4-[4-(3-methoxyphenyl)piperazino]sulfonyl-benzoic acid ethyl ester Formula: C20H23BrN2O5S MolecularWeight: 483.37602

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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)OC)Br

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=CC=C3)OC)Br

InChI

InChI=1S/C20H23BrN2O5S/c1-3-28-20(24)15-7-8-19(18(21)13-15)29(25,26)23-11-9-22(10-12-23)16-5-4-6-17(14-16)27-2/h4-8,13-14H,3,9-12H2,1-2H3