N-octan-2-yl-3-(phenylsulfonyl)propanamide

Systemtic Name: N-octan-2-yl-3-(phenylsulfonyl)propanamide Openeye Name: 3-(benzenesulfonyl)-N-(1-methylheptyl)propanamide CAS Name: 3-(benzenesulfonyl)-N-octan-2-ylpropanamide IUPAC Name: 3-(benzenesulfonyl)-N-octan-2-ylpropanamide Traditional Name: 3-besyl-N-(1-methylheptyl)propionamide Formula: C17H27NO3S MolecularWeight: 325.46618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)NC(=O)CCS(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCCCC(C)NC(=O)CCS(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C17H27NO3S/c1-3-4-5-7-10-15(2)18-17(19)13-14-22(20,21)16-11-8-6-9-12-16/h6,8-9,11-12,15H,3-5,7,10,13-14H2,1-2H3,(H,18,19)