[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(4-phenyl-1-piperazinyl)sulfonyl]benzoic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-phenylpiperazino)sulfonylbenzoic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C25H23BrN2O5S MolecularWeight: 543.42952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23BrN2O5S/c26-21-11-9-19(10-12-21)24(29)18-33-25(30)20-5-4-8-23(17-20)34(31,32)28-15-13-27(14-16-28)22-6-2-1-3-7-22/h1-12,17H,13-16,18H2