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

Systemtic Name: 2-[4-(4-bromanyl-2-ethyl-phenyl)sulfonyl-1,4-diazepan-1-yl]-N-phenethyl-ethanamide Openeye Name: 2-[4-(4-bromo-2-ethyl-phenyl)sulfonyl-1,4-diazepan-1-yl]-N-phenethyl-acetamide CAS Name: 2-[4-(4-bromo-2-ethylphenyl)sulfonyl-1,4-diazepan-1-yl]-N-phenethylacetamide IUPAC Name: 2-[4-(4-bromo-2-ethylphenyl)sulfonyl-1,4-diazepan-1-yl]-N-phenethylacetamide Traditional Name: 2-[4-(4-bromo-2-ethyl-phenyl)sulfonyl-1,4-diazepan-1-yl]-N-phenethyl-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)NCCC3=CC=CC=C3

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)S(=O)(=O)N2CCCN(CC2)CC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C23H30BrN3O3S/c1-2-20-17-21(24)9-10-22(20)31(29,30)27-14-6-13-26(15-16-27)18-23(28)25-12-11-19-7-4-3-5-8-19/h3-5,7-10,17H,2,6,11-16,18H2,1H3,(H,25,28)