[3-(trifluoromethyl)phenyl]methyl 2-chloranyl-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoate

Systemtic Name: [3-(trifluoromethyl)phenyl]methyl 2-chloranyl-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoate Openeye Name: [3-(trifluoromethyl)phenyl]methyl 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoate CAS Name: 2-chloro-5-[(4-phenyl-1-piperazinyl)sulfonyl]benzoic acid [3-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [3-(trifluoromethyl)phenyl]methyl 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 2-chloro-5-(4-phenylpiperazino)sulfonyl-benzoic acid [3-(trifluoromethyl)benzyl] ester Formula: C25H22ClF3N2O4S MolecularWeight: 538.96639

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22ClF3N2O4S/c26-23-10-9-21(36(33,34)31-13-11-30(12-14-31)20-7-2-1-3-8-20)16-22(23)24(32)35-17-18-5-4-6-19(15-18)25(27,28)29/h1-10,15-16H,11-14,17H2