(2-oxidanylideneoxolan-3-yl) 2-chloranyl-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoate

Systemtic Name: (2-oxidanylideneoxolan-3-yl) 2-chloranyl-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoate Openeye Name: (2-oxotetrahydrofuran-3-yl) 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoate CAS Name: 2-chloro-5-[(4-phenyl-1-piperazinyl)sulfonyl]benzoic acid (2-oxo-3-oxolanyl) ester IUPAC Name: (2-oxooxolan-3-yl) 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 2-chloro-5-(4-phenylpiperazino)sulfonyl-benzoic acid (2-ketotetrahydrofuran-3-yl) ester Formula: C21H21ClN2O6S MolecularWeight: 464.91924

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(=O)C1OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4)Cl

Isomeric SMILES

C1COC(=O)C1OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C21H21ClN2O6S/c22-18-7-6-16(14-17(18)20(25)30-19-8-13-29-21(19)26)31(27,28)24-11-9-23(10-12-24)15-4-2-1-3-5-15/h1-7,14,19H,8-13H2