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

Systemtic Name: N-[4-[[4-(4-bromanyl-2-ethyl-phenyl)sulfonyl-1,4-diazepan-1-yl]methyl]phenyl]ethanamide Openeye Name: N-[4-[[4-(4-bromo-2-ethyl-phenyl)sulfonyl-1,4-diazepan-1-yl]methyl]phenyl]acetamide CAS Name: N-[4-[[4-(4-bromo-2-ethylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]phenyl]acetamide IUPAC Name: N-[4-[[4-(4-bromo-2-ethylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]phenyl]acetamide Traditional Name: N-[4-[[4-(4-bromo-2-ethyl-phenyl)sulfonyl-1,4-diazepan-1-yl]methyl]phenyl]acetamide Formula: C22H28BrN3O3S MolecularWeight: 494.44502

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Br)S(=O)(=O)N2CCCN(CC2)CC3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)S(=O)(=O)N2CCCN(CC2)CC3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C22H28BrN3O3S/c1-3-19-15-20(23)7-10-22(19)30(28,29)26-12-4-11-25(13-14-26)16-18-5-8-21(9-6-18)24-17(2)27/h5-10,15H,3-4,11-14,16H2,1-2H3,(H,24,27)