methyl 4-[[(4-fluoranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonyl-methyl-amino]methyl]benzoate

Systemtic Name: methyl 4-[[(4-fluoranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonyl-methyl-amino]methyl]benzoate Openeye Name: methyl 4-[[(4-fluoro-3-pyrrolidin-1-ylsulfonyl-benzoyl)-methyl-amino]methyl]benzoate CAS Name: 4-[[[[4-fluoro-3-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]-methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(4-fluoro-3-pyrrolidin-1-ylsulfonylbenzoyl)-methylamino]methyl]benzoate Traditional Name: 4-[[(4-fluoro-3-pyrrolidinosulfonyl-benzoyl)-methyl-amino]methyl]benzoic acid methyl ester Formula: C21H23FN2O5S MolecularWeight: 434.481123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C(=O)OC)C(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCC3

Isomeric SMILES

CN(CC1=CC=C(C=C1)C(=O)OC)C(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H23FN2O5S/c1-23(14-15-5-7-16(8-6-15)21(26)29-2)20(25)17-9-10-18(22)19(13-17)30(27,28)24-11-3-4-12-24/h5-10,13H,3-4,11-12,14H2,1-2H3