2-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-N-(2-bromanyl-4-methyl-phenyl)ethanamide

Systemtic Name: 2-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-N-(2-bromanyl-4-methyl-phenyl)ethanamide Openeye Name: 2-[4-(azepan-1-ylsulfonyl)anilino]-N-(2-bromo-4-methyl-phenyl)acetamide CAS Name: 2-[4-(1-azepanylsulfonyl)anilino]-N-(2-bromo-4-methylphenyl)acetamide IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)anilino]-N-(2-bromo-4-methylphenyl)acetamide Traditional Name: 2-[4-(azepan-1-ylsulfonyl)anilino]-N-(2-bromo-4-methyl-phenyl)acetamide Formula: C21H26BrN3O3S MolecularWeight: 480.41844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CNC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CNC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)Br

InChI

InChI=1S/C21H26BrN3O3S/c1-16-6-11-20(19(22)14-16)24-21(26)15-23-17-7-9-18(10-8-17)29(27,28)25-12-4-2-3-5-13-25/h6-11,14,23H,2-5,12-13,15H2,1H3,(H,24,26)