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

Systemtic Name: (E)-4-oxidanylidene-4-[2-piperidin-1-ylsulfonylethyl(pyridin-3-ylmethyl)amino]but-2-enoic acid Openeye Name: (E)-4-oxo-4-[2-(1-piperidylsulfonyl)ethyl-(3-pyridylmethyl)amino]but-2-enoic acid CAS Name: (E)-4-oxo-4-[2-(1-piperidinylsulfonyl)ethyl-(3-pyridinylmethyl)amino]-2-butenoic acid IUPAC Name: (E)-4-oxo-4-[2-piperidin-1-ylsulfonylethyl(pyridin-3-ylmethyl)amino]but-2-enoic acid Traditional Name: (E)-4-keto-4-[2-piperidinosulfonylethyl(3-pyridylmethyl)amino]but-2-enoic acid Formula: C17H23N3O5S MolecularWeight: 381.44662

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)CCN(CC2=CN=CC=C2)C(=O)C=CC(=O)O

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)CCN(CC2=CN=CC=C2)C(=O)/C=C/C(=O)O

InChI

InChI=1S/C17H23N3O5S/c21-16(6-7-17(22)23)19(14-15-5-4-8-18-13-15)11-12-26(24,25)20-9-2-1-3-10-20/h4-8,13H,1-3,9-12,14H2,(H,22,23)/b7-6+