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

Systemtic Name: (E)-4-oxidanylidene-4-[2-piperidin-1-ylsulfonylethyl(pyridin-4-ylmethyl)amino]but-2-enoic acid Openeye Name: (E)-4-oxo-4-[2-(1-piperidylsulfonyl)ethyl-(4-pyridylmethyl)amino]but-2-enoic acid CAS Name: (E)-4-oxo-4-[2-(1-piperidinylsulfonyl)ethyl-(pyridin-4-ylmethyl)amino]-2-butenoic acid IUPAC Name: (E)-4-oxo-4-[2-piperidin-1-ylsulfonylethyl(pyridin-4-ylmethyl)amino]but-2-enoic acid Traditional Name: (E)-4-keto-4-[2-piperidinosulfonylethyl(4-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=CC=NC=C2)C(=O)C=CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O5S/c21-16(4-5-17(22)23)19(14-15-6-8-18-9-7-15)12-13-26(24,25)20-10-2-1-3-11-20/h4-9H,1-3,10-14H2,(H,22,23)/b5-4+