ethyl 4-(2-pyridin-4-ylpyrrolidin-1-yl)sulfonylbenzoate

Systemtic Name: ethyl 4-(2-pyridin-4-ylpyrrolidin-1-yl)sulfonylbenzoate Openeye Name: ethyl 4-[2-(4-pyridyl)pyrrolidin-1-yl]sulfonylbenzoate CAS Name: 4-[(2-pyridin-4-yl-1-pyrrolidinyl)sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-(2-pyridin-4-ylpyrrolidin-1-yl)sulfonylbenzoate Traditional Name: 4-[2-(4-pyridyl)pyrrolidino]sulfonylbenzoic acid ethyl ester Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2C3=CC=NC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2C3=CC=NC=C3

InChI

InChI=1S/C18H20N2O4S/c1-2-24-18(21)15-5-7-16(8-6-15)25(22,23)20-13-3-4-17(20)14-9-11-19-12-10-14/h5-12,17H,2-4,13H2,1H3