methyl 4-(6-bromanylnaphthalen-2-yl)sulfonyl-2-(4-pyridin-4-ylpiperazin-1-yl)carbonyl-benzoate

Systemtic Name: methyl 4-(6-bromanylnaphthalen-2-yl)sulfonyl-2-(4-pyridin-4-ylpiperazin-1-yl)carbonyl-benzoate Openeye Name: methyl 4-[(6-bromo-2-naphthyl)sulfonyl]-2-[4-(4-pyridyl)piperazine-1-carbonyl]benzoate CAS Name: 4-[(6-bromo-2-naphthalenyl)sulfonyl]-2-[oxo-(4-pyridin-4-yl-1-piperazinyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-(6-bromonaphthalen-2-yl)sulfonyl-2-(4-pyridin-4-ylpiperazine-1-carbonyl)benzoate Traditional Name: 4-[(6-bromo-2-naphthyl)sulfonyl]-2-[4-(4-pyridyl)piperazine-1-carbonyl]benzoic acid methyl ester Formula: C28H24BrN3O5S MolecularWeight: 594.47626

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)S(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Br)C(=O)N4CCN(CC4)C5=CC=NC=C5

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)S(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Br)C(=O)N4CCN(CC4)C5=CC=NC=C5

InChI

InChI=1S/C28H24BrN3O5S/c1-37-28(34)25-7-6-24(38(35,36)23-5-3-19-16-21(29)4-2-20(19)17-23)18-26(25)27(33)32-14-12-31(13-15-32)22-8-10-30-11-9-22/h2-11,16-18H,12-15H2,1H3