1-(2-methoxy-5-nitro-phenyl)-3-[[(4-methylphenyl)sulfonylamino]methyl]urea

Systemtic Name: 1-(2-methoxy-5-nitro-phenyl)-3-[[(4-methylphenyl)sulfonylamino]methyl]urea Openeye Name: 1-(2-methoxy-5-nitro-phenyl)-3-[(p-tolylsulfonylamino)methyl]urea CAS Name: 1-(2-methoxy-5-nitrophenyl)-3-[[(4-methylphenyl)sulfonylamino]methyl]urea IUPAC Name: 1-(2-methoxy-5-nitrophenyl)-3-[[(4-methylphenyl)sulfonylamino]methyl]urea Traditional Name: 1-(2-methoxy-5-nitro-phenyl)-3-[(tosylamino)methyl]urea Formula: C16H18N4O6S MolecularWeight: 394.40232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCNC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCNC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C16H18N4O6S/c1-11-3-6-13(7-4-11)27(24,25)18-10-17-16(21)19-14-9-12(20(22)23)5-8-15(14)26-2/h3-9,18H,10H2,1-2H3,(H2,17,19,21)