1-butan-2-yl-3-[2-[(2,6-dimethylphenyl)amino]-5-nitro-phenyl]sulfonyl-urea

Systemtic Name: 1-butan-2-yl-3-[2-[(2,6-dimethylphenyl)amino]-5-nitro-phenyl]sulfonyl-urea Openeye Name: 1-[2-(2,6-dimethylanilino)-5-nitro-phenyl]sulfonyl-3-sec-butyl-urea CAS Name: 1-butan-2-yl-3-[2-(2,6-dimethylanilino)-5-nitrophenyl]sulfonylurea IUPAC Name: 1-butan-2-yl-3-[2-(2,6-dimethylanilino)-5-nitrophenyl]sulfonylurea Traditional Name: 1-[2-(2,6-dimethylanilino)-5-nitro-phenyl]sulfonyl-3-sec-butyl-urea Formula: C19H24N4O5S MolecularWeight: 420.48266

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NC2=C(C=CC=C2C)C

Isomeric SMILES

CCC(C)NC(=O)NS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NC2=C(C=CC=C2C)C

InChI

InChI=1S/C19H24N4O5S/c1-5-14(4)20-19(24)22-29(27,28)17-11-15(23(25)26)9-10-16(17)21-18-12(2)7-6-8-13(18)3/h6-11,14,21H,5H2,1-4H3,(H2,20,22,24)