2-[4-(4-bromanyl-2-ethyl-phenyl)sulfonyl-1,4-diazepan-1-yl]-N-(2,6-dimethylphenyl)ethanamide

Systemtic Name: 2-[4-(4-bromanyl-2-ethyl-phenyl)sulfonyl-1,4-diazepan-1-yl]-N-(2,6-dimethylphenyl)ethanamide Openeye Name: 2-[4-(4-bromo-2-ethyl-phenyl)sulfonyl-1,4-diazepan-1-yl]-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-[4-(4-bromo-2-ethylphenyl)sulfonyl-1,4-diazepan-1-yl]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-[4-(4-bromo-2-ethylphenyl)sulfonyl-1,4-diazepan-1-yl]-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[4-(4-bromo-2-ethyl-phenyl)sulfonyl-1,4-diazepan-1-yl]-N-(2,6-dimethylphenyl)acetamide Formula: C23H30BrN3O3S MolecularWeight: 508.4716

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Br)S(=O)(=O)N2CCCN(CC2)CC(=O)NC3=C(C=CC=C3C)C

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)S(=O)(=O)N2CCCN(CC2)CC(=O)NC3=C(C=CC=C3C)C

InChI

InChI=1S/C23H30BrN3O3S/c1-4-19-15-20(24)9-10-21(19)31(29,30)27-12-6-11-26(13-14-27)16-22(28)25-23-17(2)7-5-8-18(23)3/h5,7-10,15H,4,6,11-14,16H2,1-3H3,(H,25,28)