1-(4-bromanyl-2-ethyl-phenyl)sulfonyl-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane

Systemtic Name: 1-(4-bromanyl-2-ethyl-phenyl)sulfonyl-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane Openeye Name: 1-(4-bromo-2-ethyl-phenyl)sulfonyl-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane CAS Name: 1-(4-bromo-2-ethylphenyl)sulfonyl-4-[(1-methyl-2-imidazolyl)methyl]-1,4-diazepane IUPAC Name: 1-(4-bromo-2-ethylphenyl)sulfonyl-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane Traditional Name: 1-(4-bromo-2-ethyl-phenyl)sulfonyl-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane Formula: C18H25BrN4O2S MolecularWeight: 441.3857

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Br)S(=O)(=O)N2CCCN(CC2)CC3=NC=CN3C

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)S(=O)(=O)N2CCCN(CC2)CC3=NC=CN3C

InChI

InChI=1S/C18H25BrN4O2S/c1-3-15-13-16(19)5-6-17(15)26(24,25)23-9-4-8-22(11-12-23)14-18-20-7-10-21(18)2/h5-7,10,13H,3-4,8-9,11-12,14H2,1-2H3