[4-(4-methylpiperidin-1-yl)carbonylphenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [4-(4-methylpiperidin-1-yl)carbonylphenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-(4-methylpiperidine-1-carbonyl)phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[(4-methyl-1-piperidinyl)-oxomethyl]phenyl] ester IUPAC Name: [4-(4-methylpiperidine-1-carbonyl)phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-(4-methylpiperidine-1-carbonyl)phenyl] ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=C(C=CC(=C3)C)C

Isomeric SMILES

CC1CCN(CC1)C(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=C(C=CC(=C3)C)C

InChI

InChI=1S/C21H25NO4S/c1-15-10-12-22(13-11-15)21(23)18-6-8-19(9-7-18)26-27(24,25)20-14-16(2)4-5-17(20)3/h4-9,14-15H,10-13H2,1-3H3