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

Systemtic Name: (2-acetamidophenyl) 4-piperidin-1-ylsulfonylbenzenesulfonate Openeye Name: (2-acetamidophenyl) 4-(1-piperidylsulfonyl)benzenesulfonate CAS Name: 4-(1-piperidinylsulfonyl)benzenesulfonic acid (2-acetamidophenyl) ester IUPAC Name: (2-acetamidophenyl) 4-piperidin-1-ylsulfonylbenzenesulfonate Traditional Name: 4-piperidinosulfonylbenzenesulfonic acid (2-acetamidophenyl) ester Formula: C19H22N2O6S2 MolecularWeight: 438.51778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC(=O)NC1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C19H22N2O6S2/c1-15(22)20-18-7-3-4-8-19(18)27-29(25,26)17-11-9-16(10-12-17)28(23,24)21-13-5-2-6-14-21/h3-4,7-12H,2,5-6,13-14H2,1H3,(H,20,22)