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

Systemtic Name: ethyl 3-bromanyl-4-[4-(3-methylphenyl)piperazin-1-yl]sulfonyl-benzoate Openeye Name: ethyl 3-bromo-4-[4-(m-tolyl)piperazin-1-yl]sulfonyl-benzoate CAS Name: 3-bromo-4-[[4-(3-methylphenyl)-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-bromo-4-[4-(3-methylphenyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 3-bromo-4-[4-(m-tolyl)piperazino]sulfonyl-benzoic acid ethyl ester Formula: C20H23BrN2O4S MolecularWeight: 467.37662

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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)C)Br

Isomeric SMILES

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

InChI

InChI=1S/C20H23BrN2O4S/c1-3-27-20(24)16-7-8-19(18(21)14-16)28(25,26)23-11-9-22(10-12-23)17-6-4-5-15(2)13-17/h4-8,13-14H,3,9-12H2,1-2H3