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

Systemtic Name: methyl 4-(2-pyridin-3-ylpyrrolidin-1-yl)sulfonylbenzoate Openeye Name: methyl 4-[2-(3-pyridyl)pyrrolidin-1-yl]sulfonylbenzoate CAS Name: 4-[[2-(3-pyridinyl)-1-pyrrolidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 4-(2-pyridin-3-ylpyrrolidin-1-yl)sulfonylbenzoate Traditional Name: 4-[2-(3-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=C(C=C1)S(=O)(=O)N2CCCC2C3=CN=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2C3=CN=CC=C3

InChI

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