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

Systemtic Name: 1-butyl-3-[4-[(2-methyl-5-nitro-phenyl)sulfonylamino]phenyl]urea Openeye Name: 1-butyl-3-[4-[(2-methyl-5-nitro-phenyl)sulfonylamino]phenyl]urea CAS Name: 1-butyl-3-[4-[(2-methyl-5-nitrophenyl)sulfonylamino]phenyl]urea IUPAC Name: 1-butyl-3-[4-[(2-methyl-5-nitrophenyl)sulfonylamino]phenyl]urea Traditional Name: 1-butyl-3-[4-[(2-methyl-5-nitro-phenyl)sulfonylamino]phenyl]urea Formula: C18H22N4O5S MolecularWeight: 406.45608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])C

Isomeric SMILES

CCCCNC(=O)NC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])C

InChI

InChI=1S/C18H22N4O5S/c1-3-4-11-19-18(23)20-14-6-8-15(9-7-14)21-28(26,27)17-12-16(22(24)25)10-5-13(17)2/h5-10,12,21H,3-4,11H2,1-2H3,(H2,19,20,23)