[3-(1-butylpiperidin-4-yl)carbonylphenyl] 4-chloranylbenzenesulfonate

Systemtic Name: [3-(1-butylpiperidin-4-yl)carbonylphenyl] 4-chloranylbenzenesulfonate Openeye Name: [3-(1-butylpiperidine-4-carbonyl)phenyl] 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid [3-[(1-butyl-4-piperidinyl)-oxomethyl]phenyl] ester IUPAC Name: [3-(1-butylpiperidine-4-carbonyl)phenyl] 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid [3-(1-butylisonipecotoyl)phenyl] ester Formula: C22H26ClNO4S MolecularWeight: 435.96414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC(CC1)C(=O)C2=CC(=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCN1CCC(CC1)C(=O)C2=CC(=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H26ClNO4S/c1-2-3-13-24-14-11-17(12-15-24)22(25)18-5-4-6-20(16-18)28-29(26,27)21-9-7-19(23)8-10-21/h4-10,16-17H,2-3,11-15H2,1H3