ethyl (4S,5S)-5-[[(S)-(4-methylphenyl)sulfinyl]amino]-4-nitro-5-phenyl-pentanoate

Systemtic Name: ethyl (4S,5S)-5-[[(S)-(4-methylphenyl)sulfinyl]amino]-4-nitro-5-phenyl-pentanoate Openeye Name: ethyl (4S,5S)-4-nitro-5-phenyl-5-[[(S)-p-tolylsulfinyl]amino]pentanoate CAS Name: (4S,5S)-5-[[(S)-(4-methylphenyl)sulfinyl]amino]-4-nitro-5-phenylpentanoic acid ethyl ester IUPAC Name: ethyl (4S,5S)-5-[[(S)-(4-methylphenyl)sulfinyl]amino]-4-nitro-5-phenylpentanoate Traditional Name: (4S,5S)-4-nitro-5-phenyl-5-[[(S)-p-tolylsulfinyl]amino]valeric acid ethyl ester Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(C1=CC=CC=C1)NS(=O)C2=CC=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CC[C@@H]([C@H](C1=CC=CC=C1)N[S@@](=O)C2=CC=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C20H24N2O5S/c1-3-27-19(23)14-13-18(22(24)25)20(16-7-5-4-6-8-16)21-28(26)17-11-9-15(2)10-12-17/h4-12,18,20-21H,3,13-14H2,1-2H3/t18-,20-,28-/m0/s1