pyridin-2-ylmethyl 4-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: pyridin-2-ylmethyl 4-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate Openeye Name: 2-pyridylmethyl 4-(4-acetylpiperazin-1-yl)sulfonylbenzoate CAS Name: 4-[(4-acetyl-1-piperazinyl)sulfonyl]benzoic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 4-(4-acetylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 4-(4-acetylpiperazino)sulfonylbenzoic acid 2-pyridylmethyl ester Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC=CC=N3

Isomeric SMILES

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC=CC=N3

InChI

InChI=1S/C19H21N3O5S/c1-15(23)21-10-12-22(13-11-21)28(25,26)18-7-5-16(6-8-18)19(24)27-14-17-4-2-3-9-20-17/h2-9H,10-14H2,1H3