2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 2-chloranyl-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 2-chloranyl-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoate CAS Name: 2-chloro-5-[(4-phenyl-1-piperazinyl)sulfonyl]benzoic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 2-chloro-5-(4-phenylpiperazino)sulfonyl-benzoic acid 2-phthalimidoethyl ester Formula: C27H24ClN3O6S MolecularWeight: 554.01396

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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)OCCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(=O)OCCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C27H24ClN3O6S/c28-24-11-10-20(38(35,36)30-14-12-29(13-15-30)19-6-2-1-3-7-19)18-23(24)27(34)37-17-16-31-25(32)21-8-4-5-9-22(21)26(31)33/h1-11,18H,12-17H2