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

Systemtic Name: N-heptan-2-yl-3-(phenylsulfonylmethyl)benzamide Openeye Name: 3-(benzenesulfonylmethyl)-N-(1-methylhexyl)benzamide CAS Name: 3-(benzenesulfonylmethyl)-N-heptan-2-ylbenzamide IUPAC Name: 3-(benzenesulfonylmethyl)-N-heptan-2-ylbenzamide Traditional Name: 3-(besylmethyl)-N-(1-methylhexyl)benzamide Formula: C21H27NO3S MolecularWeight: 373.50898

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)C1=CC(=CC=C1)CS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCC(C)NC(=O)C1=CC(=CC=C1)CS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H27NO3S/c1-3-4-6-10-17(2)22-21(23)19-12-9-11-18(15-19)16-26(24,25)20-13-7-5-8-14-20/h5,7-9,11-15,17H,3-4,6,10,16H2,1-2H3,(H,22,23)