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

Systemtic Name: 1-(4-bromanyl-2-ethyl-phenyl)sulfonyl-4-[[1-(phenylmethyl)imidazol-2-yl]methyl]-1,4-diazepane Openeye Name: 1-[(1-benzylimidazol-2-yl)methyl]-4-(4-bromo-2-ethyl-phenyl)sulfonyl-1,4-diazepane CAS Name: 1-(4-bromo-2-ethylphenyl)sulfonyl-4-[[1-(phenylmethyl)-2-imidazolyl]methyl]-1,4-diazepane IUPAC Name: 1-[(1-benzylimidazol-2-yl)methyl]-4-(4-bromo-2-ethylphenyl)sulfonyl-1,4-diazepane Traditional Name: 1-[(1-benzylimidazol-2-yl)methyl]-4-(4-bromo-2-ethyl-phenyl)sulfonyl-1,4-diazepane Formula: C24H29BrN4O2S MolecularWeight: 517.48166

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Br)S(=O)(=O)N2CCCN(CC2)CC3=NC=CN3CC4=CC=CC=C4

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)S(=O)(=O)N2CCCN(CC2)CC3=NC=CN3CC4=CC=CC=C4

InChI

InChI=1S/C24H29BrN4O2S/c1-2-21-17-22(25)9-10-23(21)32(30,31)29-13-6-12-27(15-16-29)19-24-26-11-14-28(24)18-20-7-4-3-5-8-20/h3-5,7-11,14,17H,2,6,12-13,15-16,18-19H2,1H3