N-phenylmethoxy-3-(phenylsulfonyl)octanamide

Systemtic Name: N-phenylmethoxy-3-(phenylsulfonyl)octanamide Openeye Name: 3-(benzenesulfonyl)-N-benzyloxy-octanamide CAS Name: 3-(benzenesulfonyl)-N-phenylmethoxyoctanamide IUPAC Name: 3-(benzenesulfonyl)-N-phenylmethoxyoctanamide Traditional Name: N-benzoxy-3-besyl-caprylamide Formula: C21H27NO4S MolecularWeight: 389.50838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC(=O)NOCC1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCC(CC(=O)NOCC1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H27NO4S/c1-2-3-6-15-20(27(24,25)19-13-9-5-10-14-19)16-21(23)22-26-17-18-11-7-4-8-12-18/h4-5,7-14,20H,2-3,6,15-17H2,1H3,(H,22,23)