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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CNCCN1S(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Cl)C(=O)OC(=O)C4=CC=C(C=C4)C5=CC=NC=C5

Isomeric SMILES

CCC1(CNCCN1S(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Cl)C(=O)OC(=O)C4=CC=C(C=C4)C5=CC=NC=C5

InChI

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