(2,5-dimethylphenyl) 4-piperidin-1-ylsulfonylbenzenesulfonate

Systemtic Name: (2,5-dimethylphenyl) 4-piperidin-1-ylsulfonylbenzenesulfonate Openeye Name: (2,5-dimethylphenyl) 4-(1-piperidylsulfonyl)benzenesulfonate CAS Name: 4-(1-piperidinylsulfonyl)benzenesulfonic acid (2,5-dimethylphenyl) ester IUPAC Name: (2,5-dimethylphenyl) 4-piperidin-1-ylsulfonylbenzenesulfonate Traditional Name: 4-piperidinosulfonylbenzenesulfonic acid (2,5-dimethylphenyl) ester Formula: C19H23NO5S2 MolecularWeight: 409.51962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)OS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C19H23NO5S2/c1-15-6-7-16(2)19(14-15)25-27(23,24)18-10-8-17(9-11-18)26(21,22)20-12-4-3-5-13-20/h6-11,14H,3-5,12-13H2,1-2H3