1-azanyl-1-cyclohexyl-5-methyl-hexan-3-ol; phenylsulfonyl 3-(1H-imidazol-5-yl)-2-(methylamino)propanoate

Systemtic Name: 1-azanyl-1-cyclohexyl-5-methyl-hexan-3-ol; phenylsulfonyl 3-(1H-imidazol-5-yl)-2-(methylamino)propanoate Openeye Name: 1-amino-1-cyclohexyl-5-methyl-hexan-3-ol; benzenesulfonyl 3-(1H-imidazol-5-yl)-2-(methylamino)propanoate CAS Name: 1-amino-1-cyclohexyl-5-methyl-3-hexanol; 3-(1H-imidazol-5-yl)-2-(methylamino)propanoic acid benzenesulfonyl ester IUPAC Name: 1-amino-1-cyclohexyl-5-methylhexan-3-ol; benzenesulfonyl 3-(1H-imidazol-5-yl)-2-(methylamino)propanoate Traditional Name: 1-amino-1-cyclohexyl-5-methyl-hexan-3-ol; 3-(1H-imidazol-5-yl)-2-(methylamino)propionic acid besyl ester Formula: C26H42N4O5S MolecularWeight: 522.70048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(C1CCCCC1)N)O.CNC(CC1=CN=CN1)C(=O)OS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)CC(CC(C1CCCCC1)N)O.CNC(CC1=CN=CN1)C(=O)OS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H15N3O4S.C13H27NO/c1-14-12(7-10-8-15-9-16-10)13(17)20-21(18,19)11-5-3-2-4-6-11;1-10(2)8-12(15)9-13(14)11-6-4-3-5-7-11/h2-6,8-9,12,14H,7H2,1H3,(H,15,16);10-13,15H,3-9,14H2,1-2H3