7-[1-(phenylmethyl)sulfonylpyrrolidin-2-yl]heptanoic acid

Systemtic Name: 7-[1-(phenylmethyl)sulfonylpyrrolidin-2-yl]heptanoic acid Openeye Name: 7-(1-benzylsulfonylpyrrolidin-2-yl)heptanoic acid CAS Name: 7-[1-(phenylmethyl)sulfonyl-2-pyrrolidinyl]heptanoic acid IUPAC Name: 7-(1-benzylsulfonylpyrrolidin-2-yl)heptanoic acid Traditional Name: 7-(1-benzylsulfonylpyrrolidin-2-yl)enanthic acid Formula: C18H27NO4S MolecularWeight: 353.47628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)CC2=CC=CC=C2)CCCCCCC(=O)O

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)CC2=CC=CC=C2)CCCCCCC(=O)O

InChI

InChI=1S/C18H27NO4S/c20-18(21)13-7-2-1-6-11-17-12-8-14-19(17)24(22,23)15-16-9-4-3-5-10-16/h3-5,9-10,17H,1-2,6-8,11-15H2,(H,20,21)