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

Systemtic Name: (E)-4-[2-morpholin-4-ylsulfonylethyl(pyridin-3-ylmethyl)amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[2-morpholinosulfonylethyl(3-pyridylmethyl)amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[2-(4-morpholinylsulfonyl)ethyl-(3-pyridinylmethyl)amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[2-morpholin-4-ylsulfonylethyl(pyridin-3-ylmethyl)amino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-keto-4-[2-morpholinosulfonylethyl(3-pyridylmethyl)amino]but-2-enoic acid Formula: C16H21N3O6S MolecularWeight: 383.41944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)CCN(CC2=CN=CC=C2)C(=O)C=CC(=O)O

Isomeric SMILES

C1COCCN1S(=O)(=O)CCN(CC2=CN=CC=C2)C(=O)/C=C/C(=O)O

InChI

InChI=1S/C16H21N3O6S/c20-15(3-4-16(21)22)18(13-14-2-1-5-17-12-14)8-11-26(23,24)19-6-9-25-10-7-19/h1-5,12H,6-11,13H2,(H,21,22)/b4-3+