pyridin-2-ylmethyl 3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-benzoate

Systemtic Name: pyridin-2-ylmethyl 3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-benzoate Openeye Name: 2-pyridylmethyl 3,4-dimethyl-5-[(4-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 3,4-dimethyl-5-[(4-methyl-1-piperidinyl)sulfonyl]benzoic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 3,4-dimethyl-5-(4-methylpiperidino)sulfonyl-benzoic acid 2-pyridylmethyl ester Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=CC(=C2C)C)C(=O)OCC3=CC=CC=N3

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=CC(=C2C)C)C(=O)OCC3=CC=CC=N3

InChI

InChI=1S/C21H26N2O4S/c1-15-7-10-23(11-8-15)28(25,26)20-13-18(12-16(2)17(20)3)21(24)27-14-19-6-4-5-9-22-19/h4-6,9,12-13,15H,7-8,10-11,14H2,1-3H3