1-[dipropoxyphosphoryl-(3-nitrophenyl)methyl]-3-(4-methylphenyl)sulfonyl-urea

Systemtic Name: 1-[dipropoxyphosphoryl-(3-nitrophenyl)methyl]-3-(4-methylphenyl)sulfonyl-urea Openeye Name: 1-[dipropoxyphosphoryl-(3-nitrophenyl)methyl]-3-(p-tolylsulfonyl)urea CAS Name: 1-[dipropoxyphosphoryl-(3-nitrophenyl)methyl]-3-(4-methylphenyl)sulfonylurea IUPAC Name: 1-[dipropoxyphosphoryl-(3-nitrophenyl)methyl]-3-(4-methylphenyl)sulfonylurea Traditional Name: 1-[dipropoxyphosphoryl-(3-nitrophenyl)methyl]-3-tosyl-urea Formula: C21H28N3O8PS MolecularWeight: 513.501081

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Descriptors Computed from Structure

Canonical SMILES:

CCCOP(=O)(C(C1=CC(=CC=C1)[N+](=O)[O-])NC(=O)NS(=O)(=O)C2=CC=C(C=C2)C)OCCC

Isomeric SMILES

CCCOP(=O)(C(C1=CC(=CC=C1)[N+](=O)[O-])NC(=O)NS(=O)(=O)C2=CC=C(C=C2)C)OCCC

InChI

InChI=1S/C21H28N3O8PS/c1-4-13-31-33(28,32-14-5-2)20(17-7-6-8-18(15-17)24(26)27)22-21(25)23-34(29,30)19-11-9-16(3)10-12-19/h6-12,15,20H,4-5,13-14H2,1-3H3,(H2,22,23,25)