phenacyl 2-chloranyl-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoate

Systemtic Name: phenacyl 2-chloranyl-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoate Openeye Name: phenacyl 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoate CAS Name: 2-chloro-5-[(4-phenyl-1-piperazinyl)sulfonyl]benzoic acid phenacyl ester IUPAC Name: phenacyl 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 2-chloro-5-(4-phenylpiperazino)sulfonyl-benzoic acid phenacyl ester Formula: C25H23ClN2O5S MolecularWeight: 498.97852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23ClN2O5S/c26-23-12-11-21(17-22(23)25(30)33-18-24(29)19-7-3-1-4-8-19)34(31,32)28-15-13-27(14-16-28)20-9-5-2-6-10-20/h1-12,17H,13-16,18H2