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

Systemtic Name: 4-[[4-(4-bromanyl-2-ethyl-phenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-2-methyl-1,3-thiazole Openeye Name: 4-[[4-(4-bromo-2-ethyl-phenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-2-methyl-thiazole CAS Name: 4-[[4-(4-bromo-2-ethylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-2-methylthiazole IUPAC Name: 4-[[4-(4-bromo-2-ethylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-2-methyl-1,3-thiazole Traditional Name: 4-[[4-(4-bromo-2-ethyl-phenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-2-methyl-thiazole Formula: C18H24BrN3O2S2 MolecularWeight: 458.43606

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Br)S(=O)(=O)N2CCCN(CC2)CC3=CSC(=N3)C

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)S(=O)(=O)N2CCCN(CC2)CC3=CSC(=N3)C

InChI

InChI=1S/C18H24BrN3O2S2/c1-3-15-11-16(19)5-6-18(15)26(23,24)22-8-4-7-21(9-10-22)12-17-13-25-14(2)20-17/h5-6,11,13H,3-4,7-10,12H2,1-2H3