ethyl (4R,5S)-5-[[(S)-(4-methylphenyl)sulfinyl]amino]-4-nitro-hexanoate

Systemtic Name: ethyl (4R,5S)-5-[[(S)-(4-methylphenyl)sulfinyl]amino]-4-nitro-hexanoate Openeye Name: ethyl (4R,5S)-4-nitro-5-[[(S)-p-tolylsulfinyl]amino]hexanoate CAS Name: (4R,5S)-5-[[(S)-(4-methylphenyl)sulfinyl]amino]-4-nitrohexanoic acid ethyl ester IUPAC Name: ethyl (4R,5S)-5-[[(S)-(4-methylphenyl)sulfinyl]amino]-4-nitrohexanoate Traditional Name: (4R,5S)-4-nitro-5-[[(S)-p-tolylsulfinyl]amino]hexanoic acid ethyl ester Formula: C15H22N2O5S MolecularWeight: 342.41058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(C)NS(=O)C1=CC=C(C=C1)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CC[C@H]([C@H](C)N[S@@](=O)C1=CC=C(C=C1)C)[N+](=O)[O-]

InChI

InChI=1S/C15H22N2O5S/c1-4-22-15(18)10-9-14(17(19)20)12(3)16-23(21)13-7-5-11(2)6-8-13/h5-8,12,14,16H,4,9-10H2,1-3H3/t12-,14+,23-/m0/s1