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

Systemtic Name: (E)-4-[2-morpholin-4-ylsulfonylethyl(pyridin-3-ylmethyl)amino]-4-oxidanylidene-but-2-enoate Openeye Name: (E)-4-[2-morpholinosulfonylethyl(3-pyridylmethyl)amino]-4-oxo-but-2-enoate CAS Name: (E)-4-[2-(4-morpholinylsulfonyl)ethyl-(3-pyridinylmethyl)amino]-4-oxo-2-butenoate IUPAC Name: (E)-4-[2-morpholin-4-ylsulfonylethyl(pyridin-3-ylmethyl)amino]-4-oxobut-2-enoate Traditional Name: (E)-4-keto-4-[2-morpholinosulfonylethyl(3-pyridylmethyl)amino]but-2-enoate Formula: C16H20N3O6S- MolecularWeight: 382.4115

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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)/p-1/b4-3+