methyl 2-[3-(6-bromanylnaphthalen-2-yl)sulfonyl-4-pyridin-4-yl-piperazin-1-yl]carbonylbenzoate

Systemtic Name: methyl 2-[3-(6-bromanylnaphthalen-2-yl)sulfonyl-4-pyridin-4-yl-piperazin-1-yl]carbonylbenzoate Openeye Name: methyl 2-[3-[(6-bromo-2-naphthyl)sulfonyl]-4-(4-pyridyl)piperazine-1-carbonyl]benzoate CAS Name: 2-[[3-[(6-bromo-2-naphthalenyl)sulfonyl]-4-pyridin-4-yl-1-piperazinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[3-(6-bromonaphthalen-2-yl)sulfonyl-4-pyridin-4-ylpiperazine-1-carbonyl]benzoate Traditional Name: 2-[3-[(6-bromo-2-naphthyl)sulfonyl]-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=CC=CC=C1C(=O)N2CCN(C(C2)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Br)C5=CC=NC=C5

Isomeric SMILES

COC(=O)C1=CC=CC=C1C(=O)N2CCN(C(C2)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Br)C5=CC=NC=C5

InChI

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