methyl 2-[(4-bromanyl-2-naphthalen-1-yl-phenyl)carbonylamino]-4-methylsulfonyl-butanoate

Systemtic Name: methyl 2-[(4-bromanyl-2-naphthalen-1-yl-phenyl)carbonylamino]-4-methylsulfonyl-butanoate Openeye Name: methyl 2-[[4-bromo-2-(1-naphthyl)benzoyl]amino]-4-methylsulfonyl-butanoate CAS Name: 2-[[[4-bromo-2-(1-naphthalenyl)phenyl]-oxomethyl]amino]-4-methylsulfonylbutanoic acid methyl ester IUPAC Name: methyl 2-[(4-bromo-2-naphthalen-1-ylbenzoyl)amino]-4-methylsulfonylbutanoate Traditional Name: 2-[[4-bromo-2-(1-naphthyl)benzoyl]amino]-4-mesyl-butyric acid methyl ester Formula: C23H22BrNO5S MolecularWeight: 504.39348

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCS(=O)(=O)C)NC(=O)C1=C(C=C(C=C1)Br)C2=CC=CC3=CC=CC=C32

Isomeric SMILES

COC(=O)C(CCS(=O)(=O)C)NC(=O)C1=C(C=C(C=C1)Br)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C23H22BrNO5S/c1-30-23(27)21(12-13-31(2,28)29)25-22(26)19-11-10-16(24)14-20(19)18-9-5-7-15-6-3-4-8-17(15)18/h3-11,14,21H,12-13H2,1-2H3,(H,25,26)