3-(4-methylphenyl)-1-[2-[(4-nitrophenyl)sulfonylamino]ethyl]-1-phenyl-urea

Systemtic Name: 3-(4-methylphenyl)-1-[2-[(4-nitrophenyl)sulfonylamino]ethyl]-1-phenyl-urea Openeye Name: 1-[2-[(4-nitrophenyl)sulfonylamino]ethyl]-1-phenyl-3-(p-tolyl)urea CAS Name: 3-(4-methylphenyl)-1-[2-[(4-nitrophenyl)sulfonylamino]ethyl]-1-phenylurea IUPAC Name: 3-(4-methylphenyl)-1-[2-[(4-nitrophenyl)sulfonylamino]ethyl]-1-phenylurea Traditional Name: 1-[2-(nosylamino)ethyl]-1-phenyl-3-(p-tolyl)urea Formula: C22H22N4O5S MolecularWeight: 454.49888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)N(CCNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)N(CCNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C22H22N4O5S/c1-17-7-9-18(10-8-17)24-22(27)25(19-5-3-2-4-6-19)16-15-23-32(30,31)21-13-11-20(12-14-21)26(28)29/h2-14,23H,15-16H2,1H3,(H,24,27)