methyl 3-(2-pyridin-4-ylpyrrolidin-1-yl)sulfonylbenzoate

Systemtic Name: methyl 3-(2-pyridin-4-ylpyrrolidin-1-yl)sulfonylbenzoate Openeye Name: methyl 3-[2-(4-pyridyl)pyrrolidin-1-yl]sulfonylbenzoate CAS Name: 3-[(2-pyridin-4-yl-1-pyrrolidinyl)sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 3-(2-pyridin-4-ylpyrrolidin-1-yl)sulfonylbenzoate Traditional Name: 3-[2-(4-pyridyl)pyrrolidino]sulfonylbenzoic acid methyl ester Formula: C17H18N2O4S MolecularWeight: 346.40082

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCC2C3=CC=NC=C3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCC2C3=CC=NC=C3

InChI

InChI=1S/C17H18N2O4S/c1-23-17(20)14-4-2-5-15(12-14)24(21,22)19-11-3-6-16(19)13-7-9-18-10-8-13/h2,4-5,7-10,12,16H,3,6,11H2,1H3