3-(pyridin-4-ylmethylsulfonyl)propanoate

Systemtic Name: 3-(pyridin-4-ylmethylsulfonyl)propanoate Openeye Name: 3-(4-pyridylmethylsulfonyl)propanoate CAS Name: 3-(pyridin-4-ylmethylsulfonyl)propanoate IUPAC Name: 3-(pyridin-4-ylmethylsulfonyl)propanoate Traditional Name: 3-(4-pyridylmethylsulfonyl)propionate Formula: C9H10NO4S- MolecularWeight: 228.245

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1CS(=O)(=O)CCC(=O)[O-]

Isomeric SMILES

C1=CN=CC=C1CS(=O)(=O)CCC(=O)[O-]

InChI

InChI=1S/C9H11NO4S/c11-9(12)3-6-15(13,14)7-8-1-4-10-5-2-8/h1-2,4-5H,3,6-7H2,(H,11,12)/p-1