1-[2-[1-[(1-pyridin-4-ylpiperidin-4-yl)carbonylamino]ethoxy]phenyl]ethenesulfonic acid

Systemtic Name: 1-[2-[1-[(1-pyridin-4-ylpiperidin-4-yl)carbonylamino]ethoxy]phenyl]ethenesulfonic acid Openeye Name: 1-[2-[1-[[1-(4-pyridyl)piperidine-4-carbonyl]amino]ethoxy]phenyl]ethenesulfonic acid CAS Name: 1-[2-[1-[[oxo-(1-pyridin-4-yl-4-piperidinyl)methyl]amino]ethoxy]phenyl]ethenesulfonic acid IUPAC Name: 1-[2-[1-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]ethoxy]phenyl]ethenesulfonic acid Traditional Name: 1-[2-[1-[[1-(4-pyridyl)isonipecotoyl]amino]ethoxy]phenyl]ethenesulfonic acid Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CC(NC(=O)C1CCN(CC1)C2=CC=NC=C2)OC3=CC=CC=C3C(=C)S(=O)(=O)O

Isomeric SMILES

CC(NC(=O)C1CCN(CC1)C2=CC=NC=C2)OC3=CC=CC=C3C(=C)S(=O)(=O)O

InChI

InChI=1S/C21H25N3O5S/c1-15(30(26,27)28)19-5-3-4-6-20(19)29-16(2)23-21(25)17-9-13-24(14-10-17)18-7-11-22-12-8-18/h3-8,11-12,16-17H,1,9-10,13-14H2,2H3,(H,23,25)(H,26,27,28)