3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-bromanyl-4-methyl-phenyl)propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-bromanyl-4-methyl-phenyl)propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-bromo-4-methyl-phenyl)propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-(2-bromo-4-methylphenyl)propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-bromo-4-methylphenyl)propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-bromo-4-methyl-phenyl)propionamide Formula: C22H27BrN2O3S MolecularWeight: 479.43038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)Br

InChI

InChI=1S/C22H27BrN2O3S/c1-17-6-12-21(20(23)16-17)24-22(26)13-9-18-7-10-19(11-8-18)29(27,28)25-14-4-2-3-5-15-25/h6-8,10-12,16H,2-5,9,13-15H2,1H3,(H,24,26)