(E)-4-oxidanylidene-4-[pyridin-3-ylmethyl(2-pyrrolidin-1-ylsulfonylethyl)amino]but-2-enoic acid

Systemtic Name: (E)-4-oxidanylidene-4-[pyridin-3-ylmethyl(2-pyrrolidin-1-ylsulfonylethyl)amino]but-2-enoic acid Openeye Name: (E)-4-oxo-4-[3-pyridylmethyl(2-pyrrolidin-1-ylsulfonylethyl)amino]but-2-enoic acid CAS Name: (E)-4-oxo-4-[3-pyridinylmethyl-[2-(1-pyrrolidinylsulfonyl)ethyl]amino]-2-butenoic acid IUPAC Name: (E)-4-oxo-4-[pyridin-3-ylmethyl(2-pyrrolidin-1-ylsulfonylethyl)amino]but-2-enoic acid Traditional Name: (E)-4-keto-4-[3-pyridylmethyl(2-pyrrolidinosulfonylethyl)amino]but-2-enoic acid Formula: C16H21N3O5S MolecularWeight: 367.42004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)CCN(CC2=CN=CC=C2)C(=O)C=CC(=O)O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)CCN(CC2=CN=CC=C2)C(=O)/C=C/C(=O)O

InChI

InChI=1S/C16H21N3O5S/c20-15(5-6-16(21)22)18(13-14-4-3-7-17-12-14)10-11-25(23,24)19-8-1-2-9-19/h3-7,12H,1-2,8-11,13H2,(H,21,22)/b6-5+