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

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O4S/c1-23-17(20)14-4-6-15(7-5-14)24(21,22)19-12-2-3-16(19)13-8-10-18-11-9-13/h4-11,16H,2-3,12H2,1H3