1-butyl-3-(4-methylsulfonylphenyl)sulfonyl-urea

Systemtic Name: 1-butyl-3-(4-methylsulfonylphenyl)sulfonyl-urea Openeye Name: 1-butyl-3-(4-methylsulfonylphenyl)sulfonyl-urea CAS Name: 1-butyl-3-(4-methylsulfonylphenyl)sulfonylurea IUPAC Name: 1-butyl-3-(4-methylsulfonylphenyl)sulfonylurea Traditional Name: 1-butyl-3-(4-mesylphenyl)sulfonyl-urea Formula: C12H18N2O5S2 MolecularWeight: 334.41172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)C

Isomeric SMILES

CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)C

InChI

InChI=1S/C12H18N2O5S2/c1-3-4-9-13-12(15)14-21(18,19)11-7-5-10(6-8-11)20(2,16)17/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15)