ethyl 2-[3-(6-chloranylnaphthalen-2-yl)sulfonylpropyl-(1-pyridin-4-ylpiperidin-4-yl)carbonyl-amino]ethanoate

Systemtic Name: ethyl 2-[3-(6-chloranylnaphthalen-2-yl)sulfonylpropyl-(1-pyridin-4-ylpiperidin-4-yl)carbonyl-amino]ethanoate Openeye Name: ethyl 2-[3-[(6-chloro-2-naphthyl)sulfonyl]propyl-[1-(4-pyridyl)piperidine-4-carbonyl]amino]acetate CAS Name: 2-[3-[(6-chloro-2-naphthalenyl)sulfonyl]propyl-[oxo-(1-pyridin-4-yl-4-piperidinyl)methyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-(6-chloronaphthalen-2-yl)sulfonylpropyl-(1-pyridin-4-ylpiperidine-4-carbonyl)amino]acetate Traditional Name: 2-[3-[(6-chloro-2-naphthyl)sulfonyl]propyl-[1-(4-pyridyl)isonipecotoyl]amino]acetic acid ethyl ester Formula: C28H32ClN3O5S MolecularWeight: 558.08878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(CCCS(=O)(=O)C1=CC2=C(C=C1)C=C(C=C2)Cl)C(=O)C3CCN(CC3)C4=CC=NC=C4

Isomeric SMILES

CCOC(=O)CN(CCCS(=O)(=O)C1=CC2=C(C=C1)C=C(C=C2)Cl)C(=O)C3CCN(CC3)C4=CC=NC=C4

InChI

InChI=1S/C28H32ClN3O5S/c1-2-37-27(33)20-32(28(34)21-10-15-31(16-11-21)25-8-12-30-13-9-25)14-3-17-38(35,36)26-7-5-22-18-24(29)6-4-23(22)19-26/h4-9,12-13,18-19,21H,2-3,10-11,14-17,20H2,1H3