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

Systemtic Name: 2-[4-(4-bromanyl-2-ethyl-phenyl)sulfonyl-1,4-diazepan-1-yl]-N-(2,6-diethylphenyl)ethanamide Openeye Name: 2-[4-(4-bromo-2-ethyl-phenyl)sulfonyl-1,4-diazepan-1-yl]-N-(2,6-diethylphenyl)acetamide CAS Name: 2-[4-(4-bromo-2-ethylphenyl)sulfonyl-1,4-diazepan-1-yl]-N-(2,6-diethylphenyl)acetamide IUPAC Name: 2-[4-(4-bromo-2-ethylphenyl)sulfonyl-1,4-diazepan-1-yl]-N-(2,6-diethylphenyl)acetamide Traditional Name: 2-[4-(4-bromo-2-ethyl-phenyl)sulfonyl-1,4-diazepan-1-yl]-N-(2,6-diethylphenyl)acetamide Formula: C25H34BrN3O3S MolecularWeight: 536.52476

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CN2CCCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)Br)CC

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CN2CCCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)Br)CC

InChI

InChI=1S/C25H34BrN3O3S/c1-4-19-9-7-10-20(5-2)25(19)27-24(30)18-28-13-8-14-29(16-15-28)33(31,32)23-12-11-22(26)17-21(23)6-3/h7,9-12,17H,4-6,8,13-16,18H2,1-3H3,(H,27,30)