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

Systemtic Name: ethyl 4-(6-bromanylnaphthalen-2-yl)sulfonyl-1-(4-pyridin-4-ylphenyl)carbonyl-piperazine-2-carboxylate Openeye Name: ethyl 4-[(6-bromo-2-naphthyl)sulfonyl]-1-[4-(4-pyridyl)benzoyl]piperazine-2-carboxylate CAS Name: 4-[(6-bromo-2-naphthalenyl)sulfonyl]-1-[oxo-(4-pyridin-4-ylphenyl)methyl]-2-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(6-bromonaphthalen-2-yl)sulfonyl-1-(4-pyridin-4-ylbenzoyl)piperazine-2-carboxylate Traditional Name: 4-[(6-bromo-2-naphthyl)sulfonyl]-1-[4-(4-pyridyl)benzoyl]piperazine-2-carboxylic acid ethyl ester Formula: C29H26BrN3O5S MolecularWeight: 608.50284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CN(CCN1C(=O)C2=CC=C(C=C2)C3=CC=NC=C3)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Br

Isomeric SMILES

CCOC(=O)C1CN(CCN1C(=O)C2=CC=C(C=C2)C3=CC=NC=C3)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Br

InChI

InChI=1S/C29H26BrN3O5S/c1-2-38-29(35)27-19-32(39(36,37)26-10-8-23-17-25(30)9-7-24(23)18-26)15-16-33(27)28(34)22-5-3-20(4-6-22)21-11-13-31-14-12-21/h3-14,17-18,27H,2,15-16,19H2,1H3