2-[[4-(4-bromanyl-2-ethyl-phenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-1,3-thiazole

Systemtic Name: 2-[[4-(4-bromanyl-2-ethyl-phenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-1,3-thiazole Openeye Name: 2-[[4-(4-bromo-2-ethyl-phenyl)sulfonyl-1,4-diazepan-1-yl]methyl]thiazole CAS Name: 2-[[4-(4-bromo-2-ethylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]thiazole IUPAC Name: 2-[[4-(4-bromo-2-ethylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-1,3-thiazole Traditional Name: 2-[[4-(4-bromo-2-ethyl-phenyl)sulfonyl-1,4-diazepan-1-yl]methyl]thiazole Formula: C17H22BrN3O2S2 MolecularWeight: 444.40948

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Br)S(=O)(=O)N2CCCN(CC2)CC3=NC=CS3

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)S(=O)(=O)N2CCCN(CC2)CC3=NC=CS3

InChI

InChI=1S/C17H22BrN3O2S2/c1-2-14-12-15(18)4-5-16(14)25(22,23)21-8-3-7-20(9-10-21)13-17-19-6-11-24-17/h4-6,11-12H,2-3,7-10,13H2,1H3