methyl (2S)-4-methylsulfonyl-2-[(6-nitronaphthalen-1-yl)carbonylamino]butanoate

Systemtic Name: methyl (2S)-4-methylsulfonyl-2-[(6-nitronaphthalen-1-yl)carbonylamino]butanoate Openeye Name: methyl (2S)-4-methylsulfonyl-2-[(6-nitronaphthalene-1-carbonyl)amino]butanoate CAS Name: (2S)-4-methylsulfonyl-2-[[(6-nitro-1-naphthalenyl)-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-methylsulfonyl-2-[(6-nitronaphthalene-1-carbonyl)amino]butanoate Traditional Name: (2S)-4-mesyl-2-[(6-nitro-1-naphthoyl)amino]butyric acid methyl ester Formula: C17H18N2O7S MolecularWeight: 394.39902

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCS(=O)(=O)C)NC(=O)C1=CC=CC2=C1C=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)[C@H](CCS(=O)(=O)C)NC(=O)C1=CC=CC2=C1C=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O7S/c1-26-17(21)15(8-9-27(2,24)25)18-16(20)14-5-3-4-11-10-12(19(22)23)6-7-13(11)14/h3-7,10,15H,8-9H2,1-2H3,(H,18,20)/t15-/m0/s1