1-[(3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl]-4-phenyl-azepane

Systemtic Name: 1-[(3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl]-4-phenyl-azepane Openeye Name: 1-[(3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl]-4-phenyl-azepane CAS Name: 1-[(3-butyl-2-ethylsulfonyl-4-imidazolyl)methyl]-4-phenylazepane IUPAC Name: 1-[(3-butyl-2-ethylsulfonylimidazol-4-yl)methyl]-4-phenylazepane Traditional Name: 1-[(3-butyl-2-esyl-imidazol-4-yl)methyl]-4-phenyl-azepane Formula: C22H33N3O2S MolecularWeight: 403.58132

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1S(=O)(=O)CC)CN2CCCC(CC2)C3=CC=CC=C3

Isomeric SMILES

CCCCN1C(=CN=C1S(=O)(=O)CC)CN2CCCC(CC2)C3=CC=CC=C3

InChI

InChI=1S/C22H33N3O2S/c1-3-5-15-25-21(17-23-22(25)28(26,27)4-2)18-24-14-9-12-20(13-16-24)19-10-7-6-8-11-19/h6-8,10-11,17,20H,3-5,9,12-16,18H2,1-2H3