(phenylmethyl) 2-[(4-methyl-3-nitro-phenyl)sulfonylamino]ethanoate

Systemtic Name: (phenylmethyl) 2-[(4-methyl-3-nitro-phenyl)sulfonylamino]ethanoate Openeye Name: benzyl 2-[(4-methyl-3-nitro-phenyl)sulfonylamino]acetate CAS Name: 2-[(4-methyl-3-nitrophenyl)sulfonylamino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(4-methyl-3-nitrophenyl)sulfonylamino]acetate Traditional Name: 2-[(4-methyl-3-nitro-phenyl)sulfonylamino]acetic acid benzyl ester Formula: C16H16N2O6S MolecularWeight: 364.37304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O6S/c1-12-7-8-14(9-15(12)18(20)21)25(22,23)17-10-16(19)24-11-13-5-3-2-4-6-13/h2-9,17H,10-11H2,1H3