(4-propanoylphenyl) 2-chloranyl-5-(4-ethylpiperazin-1-yl)sulfonyl-benzoate

Systemtic Name: (4-propanoylphenyl) 2-chloranyl-5-(4-ethylpiperazin-1-yl)sulfonyl-benzoate Openeye Name: (4-propanoylphenyl) 2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-benzoate CAS Name: 2-chloro-5-[(4-ethyl-1-piperazinyl)sulfonyl]benzoic acid [4-(1-oxopropyl)phenyl] ester IUPAC Name: (4-propanoylphenyl) 2-chloro-5-(4-ethylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 2-chloro-5-(4-ethylpiperazino)sulfonyl-benzoic acid (4-propionylphenyl) ester Formula: C22H25ClN2O5S MolecularWeight: 464.9623

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)CC)Cl

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)CC)Cl

InChI

InChI=1S/C22H25ClN2O5S/c1-3-21(26)16-5-7-17(8-6-16)30-22(27)19-15-18(9-10-20(19)23)31(28,29)25-13-11-24(4-2)12-14-25/h5-10,15H,3-4,11-14H2,1-2H3