methyl 2-[[4-(6-bromanylnaphthalen-2-yl)sulfonyl-1-(1-pyridin-4-ylpiperidin-4-yl)carbonyl-piperazin-2-yl]carbonylamino]ethanoate

Systemtic Name: methyl 2-[[4-(6-bromanylnaphthalen-2-yl)sulfonyl-1-(1-pyridin-4-ylpiperidin-4-yl)carbonyl-piperazin-2-yl]carbonylamino]ethanoate Openeye Name: methyl 2-[[4-[(6-bromo-2-naphthyl)sulfonyl]-1-[1-(4-pyridyl)piperidine-4-carbonyl]piperazine-2-carbonyl]amino]acetate CAS Name: 2-[[[4-[(6-bromo-2-naphthalenyl)sulfonyl]-1-[oxo-(1-pyridin-4-yl-4-piperidinyl)methyl]-2-piperazinyl]-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[4-(6-bromonaphthalen-2-yl)sulfonyl-1-(1-pyridin-4-ylpiperidine-4-carbonyl)piperazine-2-carbonyl]amino]acetate Traditional Name: 2-[[4-[(6-bromo-2-naphthyl)sulfonyl]-1-[1-(4-pyridyl)isonipecotoyl]piperazine-2-carbonyl]amino]acetic acid methyl ester Formula: C29H32BrN5O6S MolecularWeight: 658.56328

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)C1CN(CCN1C(=O)C2CCN(CC2)C3=CC=NC=C3)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Br

Isomeric SMILES

COC(=O)CNC(=O)C1CN(CCN1C(=O)C2CCN(CC2)C3=CC=NC=C3)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Br

InChI

InChI=1S/C29H32BrN5O6S/c1-41-27(36)18-32-28(37)26-19-34(42(39,40)25-5-3-21-16-23(30)4-2-22(21)17-25)14-15-35(26)29(38)20-8-12-33(13-9-20)24-6-10-31-11-7-24/h2-7,10-11,16-17,20,26H,8-9,12-15,18-19H2,1H3,(H,32,37)