quinolin-8-ylmethyl 3-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: quinolin-8-ylmethyl 3-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate Openeye Name: 8-quinolylmethyl 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(4-acetyl-1-piperazinyl)sulfonyl]benzoic acid 8-quinolinylmethyl ester IUPAC Name: quinolin-8-ylmethyl 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-acetylpiperazino)sulfonylbenzoic acid 8-quinolylmethyl ester Formula: C23H23N3O5S MolecularWeight: 453.51082

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C23H23N3O5S/c1-17(27)25-11-13-26(14-12-25)32(29,30)21-9-3-6-19(15-21)23(28)31-16-20-7-2-5-18-8-4-10-24-22(18)20/h2-10,15H,11-14,16H2,1H3