[3-(4-nitrophenoxy)phenyl]methyl 2-[(4-methylphenyl)sulfonylamino]ethanoate

Systemtic Name: [3-(4-nitrophenoxy)phenyl]methyl 2-[(4-methylphenyl)sulfonylamino]ethanoate Openeye Name: [3-(4-nitrophenoxy)phenyl]methyl 2-(p-tolylsulfonylamino)acetate CAS Name: 2-[(4-methylphenyl)sulfonylamino]acetic acid [3-(4-nitrophenoxy)phenyl]methyl ester IUPAC Name: [3-(4-nitrophenoxy)phenyl]methyl 2-[(4-methylphenyl)sulfonylamino]acetate Traditional Name: 2-(tosylamino)acetic acid [3-(4-nitrophenoxy)benzyl] ester Formula: C22H20N2O7S MolecularWeight: 456.4684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC2=CC(=CC=C2)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC2=CC(=CC=C2)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H20N2O7S/c1-16-5-11-21(12-6-16)32(28,29)23-14-22(25)30-15-17-3-2-4-20(13-17)31-19-9-7-18(8-10-19)24(26)27/h2-13,23H,14-15H2,1H3