N-heptan-2-yl-3-(methylsulfonylmethyl)benzamide

Systemtic Name: N-heptan-2-yl-3-(methylsulfonylmethyl)benzamide Openeye Name: N-(1-methylhexyl)-3-(methylsulfonylmethyl)benzamide CAS Name: N-heptan-2-yl-3-(methylsulfonylmethyl)benzamide IUPAC Name: N-heptan-2-yl-3-(methylsulfonylmethyl)benzamide Traditional Name: 3-(mesylmethyl)-N-(1-methylhexyl)benzamide Formula: C16H25NO3S MolecularWeight: 311.4396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)C1=CC(=CC=C1)CS(=O)(=O)C

Isomeric SMILES

CCCCCC(C)NC(=O)C1=CC(=CC=C1)CS(=O)(=O)C

InChI

InChI=1S/C16H25NO3S/c1-4-5-6-8-13(2)17-16(18)15-10-7-9-14(11-15)12-21(3,19)20/h7,9-11,13H,4-6,8,12H2,1-3H3,(H,17,18)