1-[[3-(3-methoxypropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]-4-phenyl-1,4-diazepane

Systemtic Name: 1-[[3-(3-methoxypropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]-4-phenyl-1,4-diazepane Openeye Name: 1-[[3-(3-methoxypropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]-4-phenyl-1,4-diazepane CAS Name: 1-[[3-(3-methoxypropyl)-2-methylsulfonyl-4-imidazolyl]methyl]-4-phenyl-1,4-diazepane IUPAC Name: 1-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]-4-phenyl-1,4-diazepane Traditional Name: 1-[[2-mesyl-3-(3-methoxypropyl)imidazol-4-yl]methyl]-4-phenyl-1,4-diazepane Formula: C20H30N4O3S MolecularWeight: 406.5422

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=CN=C1S(=O)(=O)C)CN2CCCN(CC2)C3=CC=CC=C3

Isomeric SMILES

COCCCN1C(=CN=C1S(=O)(=O)C)CN2CCCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C20H30N4O3S/c1-27-15-7-12-24-19(16-21-20(24)28(2,25)26)17-22-10-6-11-23(14-13-22)18-8-4-3-5-9-18/h3-5,8-9,16H,6-7,10-15,17H2,1-2H3