ethyl 4-(6-chloranylnaphthalen-2-yl)sulfonyl-4-(piperazin-1-ylmethyl)-1-pyridin-4-yl-piperidine-2-carboxylate

Systemtic Name: ethyl 4-(6-chloranylnaphthalen-2-yl)sulfonyl-4-(piperazin-1-ylmethyl)-1-pyridin-4-yl-piperidine-2-carboxylate Openeye Name: ethyl 4-[(6-chloro-2-naphthyl)sulfonyl]-4-(piperazin-1-ylmethyl)-1-(4-pyridyl)piperidine-2-carboxylate CAS Name: 4-[(6-chloro-2-naphthalenyl)sulfonyl]-4-(1-piperazinylmethyl)-1-pyridin-4-yl-2-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(6-chloronaphthalen-2-yl)sulfonyl-4-(piperazin-1-ylmethyl)-1-pyridin-4-ylpiperidine-2-carboxylate Traditional Name: 4-[(6-chloro-2-naphthyl)sulfonyl]-4-(piperazinomethyl)-1-(4-pyridyl)pipecolinic acid ethyl ester Formula: C28H33ClN4O4S MolecularWeight: 557.10402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(CCN1C2=CC=NC=C2)(CN3CCNCC3)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl

Isomeric SMILES

CCOC(=O)C1CC(CCN1C2=CC=NC=C2)(CN3CCNCC3)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl

InChI

InChI=1S/C28H33ClN4O4S/c1-2-37-27(34)26-19-28(20-32-15-12-31-13-16-32,9-14-33(26)24-7-10-30-11-8-24)38(35,36)25-6-4-21-17-23(29)5-3-22(21)18-25/h3-8,10-11,17-18,26,31H,2,9,12-16,19-20H2,1H3