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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=NC=C1)(NC(=O)CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)NC(=O)C4CCNCC4

Isomeric SMILES

CCOC(=O)C(CC1=CC=NC=C1)(NC(=O)CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)NC(=O)C4CCNCC4

InChI

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