(3R,4R)-3-azanyl-1-(4-methylphenyl)sulfonyl-azepan-4-ol

Systemtic Name: (3R,4R)-3-azanyl-1-(4-methylphenyl)sulfonyl-azepan-4-ol Openeye Name: (3R,4R)-3-amino-1-(p-tolylsulfonyl)azepan-4-ol CAS Name: (3R,4R)-3-amino-1-(4-methylphenyl)sulfonyl-4-azepanol IUPAC Name: (3R,4R)-3-amino-1-(4-methylphenyl)sulfonylazepan-4-ol Traditional Name: (3R,4R)-3-amino-1-tosyl-azepan-4-ol Formula: C13H20N2O3S MolecularWeight: 284.3745

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C(C2)N)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]([C@@H](C2)N)O

InChI

InChI=1S/C13H20N2O3S/c1-10-4-6-11(7-5-10)19(17,18)15-8-2-3-13(16)12(14)9-15/h4-7,12-13,16H,2-3,8-9,14H2,1H3/t12-,13-/m1/s1