[4-(3-methylpiperidin-1-yl)carbonylphenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [4-(3-methylpiperidin-1-yl)carbonylphenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-(3-methylpiperidine-1-carbonyl)phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[(3-methyl-1-piperidinyl)-oxomethyl]phenyl] ester IUPAC Name: [4-(3-methylpiperidine-1-carbonyl)phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-(3-methylpiperidine-1-carbonyl)phenyl] ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=C(C=CC(=C3)C)C

Isomeric SMILES

CC1CCCN(C1)C(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=C(C=CC(=C3)C)C

InChI

InChI=1S/C21H25NO4S/c1-15-6-7-17(3)20(13-15)27(24,25)26-19-10-8-18(9-11-19)21(23)22-12-4-5-16(2)14-22/h6-11,13,16H,4-5,12,14H2,1-3H3