(2-methylphenyl) 4-piperidin-1-ylsulfonylbenzenesulfonate

Systemtic Name: (2-methylphenyl) 4-piperidin-1-ylsulfonylbenzenesulfonate Openeye Name: o-tolyl 4-(1-piperidylsulfonyl)benzenesulfonate CAS Name: 4-(1-piperidinylsulfonyl)benzenesulfonic acid (2-methylphenyl) ester IUPAC Name: (2-methylphenyl) 4-piperidin-1-ylsulfonylbenzenesulfonate Traditional Name: 4-piperidinosulfonylbenzenesulfonic acid o-tolyl ester Formula: C18H21NO5S2 MolecularWeight: 395.49304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C18H21NO5S2/c1-15-7-3-4-8-18(15)24-26(22,23)17-11-9-16(10-12-17)25(20,21)19-13-5-2-6-14-19/h3-4,7-12H,2,5-6,13-14H2,1H3