1-(5-chloranyl-2-methoxy-phenyl)sulfonyl-4-[[1-(phenylmethyl)imidazol-2-yl]methyl]-1,4-diazepane

Systemtic Name: 1-(5-chloranyl-2-methoxy-phenyl)sulfonyl-4-[[1-(phenylmethyl)imidazol-2-yl]methyl]-1,4-diazepane Openeye Name: 1-[(1-benzylimidazol-2-yl)methyl]-4-(5-chloro-2-methoxy-phenyl)sulfonyl-1,4-diazepane CAS Name: 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-[[1-(phenylmethyl)-2-imidazolyl]methyl]-1,4-diazepane IUPAC Name: 1-[(1-benzylimidazol-2-yl)methyl]-4-(5-chloro-2-methoxyphenyl)sulfonyl-1,4-diazepane Traditional Name: 1-[(1-benzylimidazol-2-yl)methyl]-4-(5-chloro-2-methoxy-phenyl)sulfonyl-1,4-diazepane Formula: C23H27ClN4O3S MolecularWeight: 475.00348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCCN(CC2)CC3=NC=CN3CC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCCN(CC2)CC3=NC=CN3CC4=CC=CC=C4

InChI

InChI=1S/C23H27ClN4O3S/c1-31-21-9-8-20(24)16-22(21)32(29,30)28-12-5-11-26(14-15-28)18-23-25-10-13-27(23)17-19-6-3-2-4-7-19/h2-4,6-10,13,16H,5,11-12,14-15,17-18H2,1H3