methyl 3-[[4-(4-bromophenyl)sulfonylpiperazin-1-yl]methyl]benzoate

Systemtic Name: methyl 3-[[4-(4-bromophenyl)sulfonylpiperazin-1-yl]methyl]benzoate Openeye Name: methyl 3-[[4-(4-bromophenyl)sulfonylpiperazin-1-yl]methyl]benzoate CAS Name: 3-[[4-(4-bromophenyl)sulfonyl-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(4-bromophenyl)sulfonylpiperazin-1-yl]methyl]benzoate Traditional Name: 3-[(4-brosylpiperazino)methyl]benzoic acid methyl ester Formula: C19H21BrN2O4S MolecularWeight: 453.35004

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C19H21BrN2O4S/c1-26-19(23)16-4-2-3-15(13-16)14-21-9-11-22(12-10-21)27(24,25)18-7-5-17(20)6-8-18/h2-8,13H,9-12,14H2,1H3