ethyl 3-bromanyl-4-(4-methyl-2-phenyl-piperazin-1-yl)sulfonyl-benzoate

Systemtic Name: ethyl 3-bromanyl-4-(4-methyl-2-phenyl-piperazin-1-yl)sulfonyl-benzoate Openeye Name: ethyl 3-bromo-4-(4-methyl-2-phenyl-piperazin-1-yl)sulfonyl-benzoate CAS Name: 3-bromo-4-[(4-methyl-2-phenyl-1-piperazinyl)sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-bromo-4-(4-methyl-2-phenylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-bromo-4-(4-methyl-2-phenyl-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(CC2C3=CC=CC=C3)C)Br

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2C3=CC=CC=C3)C)Br

InChI

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