1-[2-[(4-bromanyl-3-methyl-phenyl)amino]-5-nitro-phenyl]sulfonyl-3-pentyl-urea

Systemtic Name: 1-[2-[(4-bromanyl-3-methyl-phenyl)amino]-5-nitro-phenyl]sulfonyl-3-pentyl-urea Openeye Name: 1-[2-(4-bromo-3-methyl-anilino)-5-nitro-phenyl]sulfonyl-3-pentyl-urea CAS Name: 1-[2-(4-bromo-3-methylanilino)-5-nitrophenyl]sulfonyl-3-pentylurea IUPAC Name: 1-[2-(4-bromo-3-methylanilino)-5-nitrophenyl]sulfonyl-3-pentylurea Traditional Name: 1-amyl-3-[2-(4-bromo-3-methyl-anilino)-5-nitro-phenyl]sulfonyl-urea Formula: C19H23BrN4O5S MolecularWeight: 499.37872

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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(=C(C=C2)Br)C

Isomeric SMILES

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

InChI

InChI=1S/C19H23BrN4O5S/c1-3-4-5-10-21-19(25)23-30(28,29)18-12-15(24(26)27)7-9-17(18)22-14-6-8-16(20)13(2)11-14/h6-9,11-12,22H,3-5,10H2,1-2H3,(H2,21,23,25)