(2-oxidanylidene-1,2-diphenyl-ethyl) 2-chloranyl-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoate

Systemtic Name: (2-oxidanylidene-1,2-diphenyl-ethyl) 2-chloranyl-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoate Openeye Name: (2-oxo-1,2-diphenyl-ethyl) 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoate CAS Name: 2-chloro-5-[(4-phenyl-1-piperazinyl)sulfonyl]benzoic acid (2-oxo-1,2-diphenylethyl) ester IUPAC Name: (2-oxo-1,2-diphenylethyl) 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 2-chloro-5-(4-phenylpiperazino)sulfonyl-benzoic acid desyl ester Formula: C31H27ClN2O5S MolecularWeight: 575.07448

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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)OC(C4=CC=CC=C4)C(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(=O)OC(C4=CC=CC=C4)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C31H27ClN2O5S/c32-28-17-16-26(40(37,38)34-20-18-33(19-21-34)25-14-8-3-9-15-25)22-27(28)31(36)39-30(24-12-6-2-7-13-24)29(35)23-10-4-1-5-11-23/h1-17,22,30H,18-21H2