ethyl (4S,5S)-6-methyl-5-[[(S)-(4-methylphenyl)sulfinyl]amino]-4-nitro-heptanoate

Systemtic Name: ethyl (4S,5S)-6-methyl-5-[[(S)-(4-methylphenyl)sulfinyl]amino]-4-nitro-heptanoate Openeye Name: ethyl (4S,5S)-6-methyl-4-nitro-5-[[(S)-p-tolylsulfinyl]amino]heptanoate CAS Name: (4S,5S)-6-methyl-5-[[(S)-(4-methylphenyl)sulfinyl]amino]-4-nitroheptanoic acid ethyl ester IUPAC Name: ethyl (4S,5S)-6-methyl-5-[[(S)-(4-methylphenyl)sulfinyl]amino]-4-nitroheptanoate Traditional Name: (4S,5S)-6-methyl-4-nitro-5-[[(S)-p-tolylsulfinyl]amino]enanthic acid ethyl ester Formula: C17H26N2O5S MolecularWeight: 370.46374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O5S/c1-5-24-16(20)11-10-15(19(21)22)17(12(2)3)18-25(23)14-8-6-13(4)7-9-14/h6-9,12,15,17-18H,5,10-11H2,1-4H3/t15-,17-,25-/m0/s1