ethyl 4-(6-chloranylnaphthalen-2-yl)sulfonyl-4-[(2-oxidanylidenepiperazin-1-yl)methyl]-1-pyridin-4-yl-piperidine-2-carboxylate

Systemtic Name: ethyl 4-(6-chloranylnaphthalen-2-yl)sulfonyl-4-[(2-oxidanylidenepiperazin-1-yl)methyl]-1-pyridin-4-yl-piperidine-2-carboxylate Openeye Name: ethyl 4-[(6-chloro-2-naphthyl)sulfonyl]-4-[(2-oxopiperazin-1-yl)methyl]-1-(4-pyridyl)piperidine-2-carboxylate CAS Name: 4-[(6-chloro-2-naphthalenyl)sulfonyl]-4-[(2-oxo-1-piperazinyl)methyl]-1-pyridin-4-yl-2-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(6-chloronaphthalen-2-yl)sulfonyl-4-[(2-oxopiperazin-1-yl)methyl]-1-pyridin-4-ylpiperidine-2-carboxylate Traditional Name: 4-[(6-chloro-2-naphthyl)sulfonyl]-4-[(2-ketopiperazino)methyl]-1-(4-pyridyl)pipecolinic acid ethyl ester Formula: C28H31ClN4O5S MolecularWeight: 571.08754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H31ClN4O5S/c1-2-38-27(35)25-17-28(19-32-14-12-31-18-26(32)34,9-13-33(25)23-7-10-30-11-8-23)39(36,37)24-6-4-20-15-22(29)5-3-21(20)16-24/h3-8,10-11,15-16,25,31H,2,9,12-14,17-19H2,1H3