ethyl 2-[2-(naphthalen-2-ylsulfonylamino)ethanoylamino]-3-[piperidin-4-ylcarbonyl(pyridin-4-yl)amino]propanoate

Systemtic Name: ethyl 2-[2-(naphthalen-2-ylsulfonylamino)ethanoylamino]-3-[piperidin-4-ylcarbonyl(pyridin-4-yl)amino]propanoate Openeye Name: ethyl 2-[[2-(2-naphthylsulfonylamino)acetyl]amino]-3-[piperidine-4-carbonyl(4-pyridyl)amino]propanoate CAS Name: 2-[[2-(2-naphthalenylsulfonylamino)-1-oxoethyl]amino]-3-[[oxo(4-piperidinyl)methyl]-pyridin-4-ylamino]propanoic acid ethyl ester IUPAC Name: ethyl 2-[[2-(naphthalen-2-ylsulfonylamino)acetyl]amino]-3-[piperidine-4-carbonyl(pyridin-4-yl)amino]propanoate Traditional Name: 3-[isonipecotoyl(4-pyridyl)amino]-2-[[2-(2-naphthylsulfonylamino)acetyl]amino]propionic acid ethyl ester Formula: C28H33N5O6S MolecularWeight: 567.65652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CN(C1=CC=NC=C1)C(=O)C2CCNCC2)NC(=O)CNS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCOC(=O)C(CN(C1=CC=NC=C1)C(=O)C2CCNCC2)NC(=O)CNS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C28H33N5O6S/c1-2-39-28(36)25(19-33(23-11-15-30-16-12-23)27(35)21-9-13-29-14-10-21)32-26(34)18-31-40(37,38)24-8-7-20-5-3-4-6-22(20)17-24/h3-8,11-12,15-17,21,25,29,31H,2,9-10,13-14,18-19H2,1H3,(H,32,34)