ethyl (2S)-2-[(8-nitropyren-1-yl)sulfonylamino]propanoate

Systemtic Name: ethyl (2S)-2-[(8-nitropyren-1-yl)sulfonylamino]propanoate Openeye Name: ethyl (2S)-2-[(8-nitropyren-1-yl)sulfonylamino]propanoate CAS Name: (2S)-2-[(8-nitro-1-pyrenyl)sulfonylamino]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[(8-nitropyren-1-yl)sulfonylamino]propanoate Traditional Name: (2S)-2-[(8-nitropyren-1-yl)sulfonylamino]propionic acid ethyl ester Formula: C21H18N2O6S MolecularWeight: 426.44242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)NS(=O)(=O)C1=C2C=CC3=C(C=CC4=C3C2=C(C=C4)C=C1)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)[C@H](C)NS(=O)(=O)C1=C2C=CC3=C(C=CC4=C3C2=C(C=C4)C=C1)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O6S/c1-3-29-21(24)12(2)22-30(27,28)18-11-7-14-5-4-13-6-10-17(23(25)26)15-8-9-16(18)20(14)19(13)15/h4-12,22H,3H2,1-2H3/t12-/m0/s1