sodium 1-butyl-3-(4-methylphenyl)sulfonyl-urea

Systemtic Name: sodium 1-butyl-3-(4-methylphenyl)sulfonyl-urea Openeye Name: sodium 1-butyl-3-(p-tolylsulfonyl)urea CAS Name: sodium 1-butyl-3-(4-methylphenyl)sulfonylurea IUPAC Name: sodium 1-butyl-3-(4-methylphenyl)sulfonylurea Traditional Name: sodium 1-butyl-3-tosyl-urea Formula: C12H18N2NaO3S+ MolecularWeight: 293.33769

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)C.[Na+]

Isomeric SMILES

CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)C.[Na+]

InChI

InChI=1S/C12H18N2O3S.Na/c1-3-4-9-13-12(15)14-18(16,17)11-7-5-10(2)6-8-11;/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15);/q;+1