pyridin-2-ylmethyl 2-methyl-5-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: pyridin-2-ylmethyl 2-methyl-5-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: 2-pyridylmethyl 2-methyl-5-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 2-methyl-5-(1-pyrrolidinylsulfonyl)benzoic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 2-methyl-5-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 2-methyl-5-pyrrolidinosulfonyl-benzoic acid 2-pyridylmethyl ester Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)OCC3=CC=CC=N3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)OCC3=CC=CC=N3

InChI

InChI=1S/C18H20N2O4S/c1-14-7-8-16(25(22,23)20-10-4-5-11-20)12-17(14)18(21)24-13-15-6-2-3-9-19-15/h2-3,6-9,12H,4-5,10-11,13H2,1H3