ethyl 4-(6-chloranylnaphthalen-2-yl)sulfonyl-1-(4-pyridin-3-ylphenyl)carbonyl-piperazine-2-carboxylate

Systemtic Name: ethyl 4-(6-chloranylnaphthalen-2-yl)sulfonyl-1-(4-pyridin-3-ylphenyl)carbonyl-piperazine-2-carboxylate Openeye Name: ethyl 4-[(6-chloro-2-naphthyl)sulfonyl]-1-[4-(3-pyridyl)benzoyl]piperazine-2-carboxylate CAS Name: 4-[(6-chloro-2-naphthalenyl)sulfonyl]-1-[oxo-[4-(3-pyridinyl)phenyl]methyl]-2-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(6-chloronaphthalen-2-yl)sulfonyl-1-(4-pyridin-3-ylbenzoyl)piperazine-2-carboxylate Traditional Name: 4-[(6-chloro-2-naphthyl)sulfonyl]-1-[4-(3-pyridyl)benzoyl]piperazine-2-carboxylic acid ethyl ester Formula: C29H26ClN3O5S MolecularWeight: 564.05184

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CN(CCN1C(=O)C2=CC=C(C=C2)C3=CN=CC=C3)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl

Isomeric SMILES

CCOC(=O)C1CN(CCN1C(=O)C2=CC=C(C=C2)C3=CN=CC=C3)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl

InChI

InChI=1S/C29H26ClN3O5S/c1-2-38-29(35)27-19-32(39(36,37)26-12-10-22-16-25(30)11-9-23(22)17-26)14-15-33(27)28(34)21-7-5-20(6-8-21)24-4-3-13-31-18-24/h3-13,16-18,27H,2,14-15,19H2,1H3