3-(quinolin-6-ylmethylsulfonyl)propanoate

Systemtic Name: 3-(quinolin-6-ylmethylsulfonyl)propanoate Openeye Name: 3-(6-quinolylmethylsulfonyl)propanoate CAS Name: 3-(6-quinolinylmethylsulfonyl)propanoate IUPAC Name: 3-(quinolin-6-ylmethylsulfonyl)propanoate Traditional Name: 3-(6-quinolylmethylsulfonyl)propionate Formula: C13H12NO4S- MolecularWeight: 278.30368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2)CS(=O)(=O)CCC(=O)[O-])N=C1

Isomeric SMILES

C1=CC2=C(C=CC(=C2)CS(=O)(=O)CCC(=O)[O-])N=C1

InChI

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