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

Systemtic Name: (2-oxidanylidene-2-pyrrolidin-1-yl-ethyl) 2-chloranyl-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoate Openeye Name: (2-oxo-2-pyrrolidin-1-yl-ethyl) 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoate CAS Name: 2-chloro-5-[(4-phenyl-1-piperazinyl)sulfonyl]benzoic acid [2-oxo-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: (2-oxo-2-pyrrolidin-1-ylethyl) 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 2-chloro-5-(4-phenylpiperazino)sulfonyl-benzoic acid (2-keto-2-pyrrolidino-ethyl) ester Formula: C23H26ClN3O5S MolecularWeight: 491.98764

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4)Cl

Isomeric SMILES

C1CCN(C1)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C23H26ClN3O5S/c24-21-9-8-19(16-20(21)23(29)32-17-22(28)26-10-4-5-11-26)33(30,31)27-14-12-25(13-15-27)18-6-2-1-3-7-18/h1-3,6-9,16H,4-5,10-15,17H2