1-heptan-2-yl-3-(2-methyl-5-methylsulfonyl-phenyl)urea

Systemtic Name: 1-heptan-2-yl-3-(2-methyl-5-methylsulfonyl-phenyl)urea Openeye Name: 1-(1-methylhexyl)-3-(2-methyl-5-methylsulfonyl-phenyl)urea CAS Name: 1-heptan-2-yl-3-(2-methyl-5-methylsulfonylphenyl)urea IUPAC Name: 1-heptan-2-yl-3-(2-methyl-5-methylsulfonylphenyl)urea Traditional Name: 1-(5-mesyl-2-methyl-phenyl)-3-(1-methylhexyl)urea Formula: C16H26N2O3S MolecularWeight: 326.45424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)NC1=C(C=CC(=C1)S(=O)(=O)C)C

Isomeric SMILES

CCCCCC(C)NC(=O)NC1=C(C=CC(=C1)S(=O)(=O)C)C

InChI

InChI=1S/C16H26N2O3S/c1-5-6-7-8-13(3)17-16(19)18-15-11-14(22(4,20)21)10-9-12(15)2/h9-11,13H,5-8H2,1-4H3,(H2,17,18,19)