(4-bromophenyl)methyl 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: (4-bromophenyl)methyl 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate Openeye Name: (4-bromophenyl)methyl 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(4-phenyl-1-piperazinyl)sulfonyl]benzoic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-phenylpiperazino)sulfonylbenzoic acid (4-bromobenzyl) ester Formula: C24H23BrN2O4S MolecularWeight: 515.41942

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC4=CC=C(C=C4)Br

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC4=CC=C(C=C4)Br

InChI

InChI=1S/C24H23BrN2O4S/c25-21-11-9-19(10-12-21)18-31-24(28)20-5-4-8-23(17-20)32(29,30)27-15-13-26(14-16-27)22-6-2-1-3-7-22/h1-12,17H,13-16,18H2