methyl 2-[1-(5-bromanylpyrimidin-2-yl)-4-(6-chloranylnaphthalen-2-yl)sulfonyl-piperazin-2-yl]ethanoate

Systemtic Name: methyl 2-[1-(5-bromanylpyrimidin-2-yl)-4-(6-chloranylnaphthalen-2-yl)sulfonyl-piperazin-2-yl]ethanoate Openeye Name: methyl 2-[1-(5-bromopyrimidin-2-yl)-4-[(6-chloro-2-naphthyl)sulfonyl]piperazin-2-yl]acetate CAS Name: 2-[1-(5-bromo-2-pyrimidinyl)-4-[(6-chloro-2-naphthalenyl)sulfonyl]-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-(5-bromopyrimidin-2-yl)-4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-2-yl]acetate Traditional Name: 2-[1-(5-bromopyrimidin-2-yl)-4-[(6-chloro-2-naphthyl)sulfonyl]piperazin-2-yl]acetic acid methyl ester Formula: C21H20BrClN4O4S MolecularWeight: 539.8299

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1CN(CCN1C2=NC=C(C=N2)Br)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl

Isomeric SMILES

COC(=O)CC1CN(CCN1C2=NC=C(C=N2)Br)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl

InChI

InChI=1S/C21H20BrClN4O4S/c1-31-20(28)10-18-13-26(6-7-27(18)21-24-11-16(22)12-25-21)32(29,30)19-5-3-14-8-17(23)4-2-15(14)9-19/h2-5,8-9,11-12,18H,6-7,10,13H2,1H3