(E)-6-[3-(phenylsulfonylamino)pyrrolidin-1-yl]hex-5-enoic acid

Systemtic Name: (E)-6-[3-(phenylsulfonylamino)pyrrolidin-1-yl]hex-5-enoic acid Openeye Name: (E)-6-[3-(benzenesulfonamido)pyrrolidin-1-yl]hex-5-enoic acid CAS Name: (E)-6-[3-(benzenesulfonamido)-1-pyrrolidinyl]-5-hexenoic acid IUPAC Name: (E)-6-[3-(benzenesulfonamido)pyrrolidin-1-yl]hex-5-enoic acid Traditional Name: (E)-6-[3-(benzenesulfonamido)pyrrolidino]hex-5-enoic acid Formula: C16H22N2O4S MolecularWeight: 338.42188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1NS(=O)(=O)C2=CC=CC=C2)C=CCCCC(=O)O

Isomeric SMILES

C1CN(CC1NS(=O)(=O)C2=CC=CC=C2)/C=C/CCCC(=O)O

InChI

InChI=1S/C16H22N2O4S/c19-16(20)9-5-2-6-11-18-12-10-14(13-18)17-23(21,22)15-7-3-1-4-8-15/h1,3-4,6-8,11,14,17H,2,5,9-10,12-13H2,(H,19,20)/b11-6+