1-butyl-3-[(2-methylsulfonylphenyl)methylsulfonyl]urea

Systemtic Name: 1-butyl-3-[(2-methylsulfonylphenyl)methylsulfonyl]urea Openeye Name: 1-butyl-3-[(2-methylsulfonylphenyl)methylsulfonyl]urea CAS Name: 1-butyl-3-[(2-methylsulfonylphenyl)methylsulfonyl]urea IUPAC Name: 1-butyl-3-[(2-methylsulfonylphenyl)methylsulfonyl]urea Traditional Name: 1-butyl-3-(2-mesylbenzyl)sulfonyl-urea Formula: C13H20N2O5S2 MolecularWeight: 348.4383

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NS(=O)(=O)CC1=CC=CC=C1S(=O)(=O)C

Isomeric SMILES

CCCCNC(=O)NS(=O)(=O)CC1=CC=CC=C1S(=O)(=O)C

InChI

InChI=1S/C13H20N2O5S2/c1-3-4-9-14-13(16)15-22(19,20)10-11-7-5-6-8-12(11)21(2,17)18/h5-8H,3-4,9-10H2,1-2H3,(H2,14,15,16)