(phenylmethyl) (2S)-2-[(4-methylphenyl)sulfonylamino]-5-nitro-pentanoate

Systemtic Name: (phenylmethyl) (2S)-2-[(4-methylphenyl)sulfonylamino]-5-nitro-pentanoate Openeye Name: benzyl (2S)-5-nitro-2-(p-tolylsulfonylamino)pentanoate CAS Name: (2S)-2-[(4-methylphenyl)sulfonylamino]-5-nitropentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[(4-methylphenyl)sulfonylamino]-5-nitropentanoate Traditional Name: (2S)-5-nitro-2-(tosylamino)valeric acid benzyl ester Formula: C19H22N2O6S MolecularWeight: 406.45278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCC[N+](=O)[O-])C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CCC[N+](=O)[O-])C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C19H22N2O6S/c1-15-9-11-17(12-10-15)28(25,26)20-18(8-5-13-21(23)24)19(22)27-14-16-6-3-2-4-7-16/h2-4,6-7,9-12,18,20H,5,8,13-14H2,1H3/t18-/m0/s1