1-[[2-ethylsulfonyl-3-(phenylmethyl)imidazol-4-yl]methyl]-4-phenyl-1,4-diazepane

Systemtic Name: 1-[[2-ethylsulfonyl-3-(phenylmethyl)imidazol-4-yl]methyl]-4-phenyl-1,4-diazepane Openeye Name: 1-[(3-benzyl-2-ethylsulfonyl-imidazol-4-yl)methyl]-4-phenyl-1,4-diazepane CAS Name: 1-[[2-ethylsulfonyl-3-(phenylmethyl)-4-imidazolyl]methyl]-4-phenyl-1,4-diazepane IUPAC Name: 1-[(3-benzyl-2-ethylsulfonylimidazol-4-yl)methyl]-4-phenyl-1,4-diazepane Traditional Name: 1-[(3-benzyl-2-esyl-imidazol-4-yl)methyl]-4-phenyl-1,4-diazepane Formula: C24H30N4O2S MolecularWeight: 438.5856

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)CN3CCCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)CN3CCCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C24H30N4O2S/c1-2-31(29,30)24-25-18-23(28(24)19-21-10-5-3-6-11-21)20-26-14-9-15-27(17-16-26)22-12-7-4-8-13-22/h3-8,10-13,18H,2,9,14-17,19-20H2,1H3