pyridin-2-ylmethyl 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: pyridin-2-ylmethyl 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate Openeye Name: 2-pyridylmethyl 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(4-phenyl-1-piperazinyl)sulfonyl]benzoic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-phenylpiperazino)sulfonylbenzoic acid 2-pyridylmethyl ester Formula: C23H23N3O4S MolecularWeight: 437.51142

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC4=CC=CC=N4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC4=CC=CC=N4

InChI

InChI=1S/C23H23N3O4S/c27-23(30-18-20-8-4-5-12-24-20)19-7-6-11-22(17-19)31(28,29)26-15-13-25(14-16-26)21-9-2-1-3-10-21/h1-12,17H,13-16,18H2