3-(quinolin-2-ylmethylsulfonyl)propanoate

Systemtic Name: 3-(quinolin-2-ylmethylsulfonyl)propanoate Openeye Name: 3-(2-quinolylmethylsulfonyl)propanoate CAS Name: 3-(2-quinolinylmethylsulfonyl)propanoate IUPAC Name: 3-(quinolin-2-ylmethylsulfonyl)propanoate Traditional Name: 3-(2-quinolylmethylsulfonyl)propionate Formula: C13H12NO4S- MolecularWeight: 278.30368

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)CS(=O)(=O)CCC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)CS(=O)(=O)CCC(=O)[O-]

InChI

InChI=1S/C13H13NO4S/c15-13(16)7-8-19(17,18)9-11-6-5-10-3-1-2-4-12(10)14-11/h1-6H,7-9H2,(H,15,16)/p-1