1-(4-methyl-3-octoxy-phenyl)-3-methylsulfonyl-urea

Systemtic Name: 1-(4-methyl-3-octoxy-phenyl)-3-methylsulfonyl-urea Openeye Name: 1-(4-methyl-3-octoxy-phenyl)-3-methylsulfonyl-urea CAS Name: 1-(4-methyl-3-octoxyphenyl)-3-methylsulfonylurea IUPAC Name: 1-(4-methyl-3-octoxyphenyl)-3-methylsulfonylurea Traditional Name: 1-mesyl-3-(4-methyl-3-octoxy-phenyl)urea Formula: C17H28N2O4S MolecularWeight: 356.48022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=CC(=C1)NC(=O)NS(=O)(=O)C)C

Isomeric SMILES

CCCCCCCCOC1=C(C=CC(=C1)NC(=O)NS(=O)(=O)C)C

InChI

InChI=1S/C17H28N2O4S/c1-4-5-6-7-8-9-12-23-16-13-15(11-10-14(16)2)18-17(20)19-24(3,21)22/h10-11,13H,4-9,12H2,1-3H3,(H2,18,19,20)