(2-piperidin-1-ylphenyl) 4-acetamido-3-chloranyl-benzenesulfonate

Systemtic Name: (2-piperidin-1-ylphenyl) 4-acetamido-3-chloranyl-benzenesulfonate Openeye Name: [2-(1-piperidyl)phenyl] 4-acetamido-3-chloro-benzenesulfonate CAS Name: 4-acetamido-3-chlorobenzenesulfonic acid [2-(1-piperidinyl)phenyl] ester IUPAC Name: (2-piperidin-1-ylphenyl) 4-acetamido-3-chlorobenzenesulfonate Traditional Name: 4-acetamido-3-chloro-benzenesulfonic acid (2-piperidinophenyl) ester Formula: C19H21ClN2O4S MolecularWeight: 408.89904

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=CC=C2N3CCCCC3)Cl

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=CC=C2N3CCCCC3)Cl

InChI

InChI=1S/C19H21ClN2O4S/c1-14(23)21-17-10-9-15(13-16(17)20)27(24,25)26-19-8-4-3-7-18(19)22-11-5-2-6-12-22/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,21,23)