N-(4-bromanyl-3-methyl-phenyl)-3-(phenylsulfonyl)propanamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-3-(phenylsulfonyl)propanamide Openeye Name: 3-(benzenesulfonyl)-N-(4-bromo-3-methyl-phenyl)propanamide CAS Name: 3-(benzenesulfonyl)-N-(4-bromo-3-methylphenyl)propanamide IUPAC Name: 3-(benzenesulfonyl)-N-(4-bromo-3-methylphenyl)propanamide Traditional Name: 3-besyl-N-(4-bromo-3-methyl-phenyl)propionamide Formula: C16H16BrNO3S MolecularWeight: 382.27214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CCS(=O)(=O)C2=CC=CC=C2)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CCS(=O)(=O)C2=CC=CC=C2)Br

InChI

InChI=1S/C16H16BrNO3S/c1-12-11-13(7-8-15(12)17)18-16(19)9-10-22(20,21)14-5-3-2-4-6-14/h2-8,11H,9-10H2,1H3,(H,18,19)