(2-chloranyl-4-nitro-phenyl)methyl 2-[2-[(4-methylphenyl)sulfonylamino]ethanoylamino]ethanoate

Systemtic Name: (2-chloranyl-4-nitro-phenyl)methyl 2-[2-[(4-methylphenyl)sulfonylamino]ethanoylamino]ethanoate Openeye Name: (2-chloro-4-nitro-phenyl)methyl 2-[[2-(p-tolylsulfonylamino)acetyl]amino]acetate CAS Name: 2-[[2-[(4-methylphenyl)sulfonylamino]-1-oxoethyl]amino]acetic acid (2-chloro-4-nitrophenyl)methyl ester IUPAC Name: (2-chloro-4-nitrophenyl)methyl 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate Traditional Name: 2-[[2-(tosylamino)acetyl]amino]acetic acid (2-chloro-4-nitro-benzyl) ester Formula: C18H18ClN3O7S MolecularWeight: 455.86942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN3O7S/c1-12-2-6-15(7-3-12)30(27,28)21-9-17(23)20-10-18(24)29-11-13-4-5-14(22(25)26)8-16(13)19/h2-8,21H,9-11H2,1H3,(H,20,23)