(2-pentyl-5-pyridin-3-yloxysulfonyl-phenyl) benzoate

Systemtic Name: (2-pentyl-5-pyridin-3-yloxysulfonyl-phenyl) benzoate Openeye Name: [2-pentyl-5-(3-pyridyloxysulfonyl)phenyl] benzoate CAS Name: benzoic acid [2-pentyl-5-(3-pyridinyloxysulfonyl)phenyl] ester IUPAC Name: (2-pentyl-5-pyridin-3-yloxysulfonylphenyl) benzoate Traditional Name: benzoic acid [2-amyl-5-(3-pyridyloxysulfonyl)phenyl] ester Formula: C23H23NO5S MolecularWeight: 425.49742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C=C(C=C1)S(=O)(=O)OC2=CN=CC=C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCCC1=C(C=C(C=C1)S(=O)(=O)OC2=CN=CC=C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H23NO5S/c1-2-3-5-9-18-13-14-21(30(26,27)29-20-12-8-15-24-17-20)16-22(18)28-23(25)19-10-6-4-7-11-19/h4,6-8,10-17H,2-3,5,9H2,1H3