(6-chloranylpyridin-3-yl)methyl 2-methyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (6-chloranylpyridin-3-yl)methyl 2-methyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: (6-chloro-3-pyridyl)methyl 2-methyl-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-methyl-5-(1-piperidinylsulfonyl)benzoic acid (6-chloro-3-pyridinyl)methyl ester IUPAC Name: (6-chloropyridin-3-yl)methyl 2-methyl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-methyl-5-piperidinosulfonyl-benzoic acid (6-chloro-3-pyridyl)methyl ester Formula: C19H21ClN2O4S MolecularWeight: 408.89904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OCC3=CN=C(C=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OCC3=CN=C(C=C3)Cl

InChI

InChI=1S/C19H21ClN2O4S/c1-14-5-7-16(27(24,25)22-9-3-2-4-10-22)11-17(14)19(23)26-13-15-6-8-18(20)21-12-15/h5-8,11-12H,2-4,9-10,13H2,1H3