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

Systemtic Name: 1-ethoxy-1-phenyl-2-[(1-pyridin-4-ylpiperidin-4-yl)carbonylamino]ethanesulfonic acid Openeye Name: 1-ethoxy-1-phenyl-2-[[1-(4-pyridyl)piperidine-4-carbonyl]amino]ethanesulfonic acid CAS Name: 1-ethoxy-2-[[oxo-(1-pyridin-4-yl-4-piperidinyl)methyl]amino]-1-phenylethanesulfonic acid IUPAC Name: 1-ethoxy-1-phenyl-2-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]ethanesulfonic acid Traditional Name: 1-ethoxy-1-phenyl-2-[[1-(4-pyridyl)isonipecotoyl]amino]ethanesulfonic acid Formula: C21H27N3O5S MolecularWeight: 433.52118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CNC(=O)C1CCN(CC1)C2=CC=NC=C2)(C3=CC=CC=C3)S(=O)(=O)O

Isomeric SMILES

CCOC(CNC(=O)C1CCN(CC1)C2=CC=NC=C2)(C3=CC=CC=C3)S(=O)(=O)O

InChI

InChI=1S/C21H27N3O5S/c1-2-29-21(30(26,27)28,18-6-4-3-5-7-18)16-23-20(25)17-10-14-24(15-11-17)19-8-12-22-13-9-19/h3-9,12-13,17H,2,10-11,14-16H2,1H3,(H,23,25)(H,26,27,28)