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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O6S/c20-15(1-2-16(21)22)18(13-14-3-5-17-6-4-14)9-12-26(23,24)19-7-10-25-11-8-19/h1-6H,7-13H2,(H,21,22)/b2-1+