1-[2-[(3,5-dimethylphenyl)amino]-5-nitro-phenyl]sulfonyl-3-pentyl-urea

Systemtic Name: 1-[2-[(3,5-dimethylphenyl)amino]-5-nitro-phenyl]sulfonyl-3-pentyl-urea Openeye Name: 1-[2-(3,5-dimethylanilino)-5-nitro-phenyl]sulfonyl-3-pentyl-urea CAS Name: 1-[2-(3,5-dimethylanilino)-5-nitrophenyl]sulfonyl-3-pentylurea IUPAC Name: 1-[2-(3,5-dimethylanilino)-5-nitrophenyl]sulfonyl-3-pentylurea Traditional Name: 1-amyl-3-[2-(3,5-dimethylanilino)-5-nitro-phenyl]sulfonyl-urea Formula: C20H26N4O5S MolecularWeight: 434.50924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)NS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NC2=CC(=CC(=C2)C)C

Isomeric SMILES

CCCCCNC(=O)NS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NC2=CC(=CC(=C2)C)C

InChI

InChI=1S/C20H26N4O5S/c1-4-5-6-9-21-20(25)23-30(28,29)19-13-17(24(26)27)7-8-18(19)22-16-11-14(2)10-15(3)12-16/h7-8,10-13,22H,4-6,9H2,1-3H3,(H2,21,23,25)