(3S,4S)-1-(4-methylphenyl)sulfonyl-3-(phenylmethoxyamino)azepan-4-ol

Systemtic Name: (3S,4S)-1-(4-methylphenyl)sulfonyl-3-(phenylmethoxyamino)azepan-4-ol Openeye Name: (3S,4S)-3-(benzyloxyamino)-1-(p-tolylsulfonyl)azepan-4-ol CAS Name: (3S,4S)-1-(4-methylphenyl)sulfonyl-3-(phenylmethoxyamino)-4-azepanol IUPAC Name: (3S,4S)-1-(4-methylphenyl)sulfonyl-3-(phenylmethoxyamino)azepan-4-ol Traditional Name: (3S,4S)-3-(benzoxyamino)-1-tosyl-azepan-4-ol Formula: C20H26N2O4S MolecularWeight: 390.49644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C(C2)NOCC3=CC=CC=C3)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@@H]([C@H](C2)NOCC3=CC=CC=C3)O

InChI

InChI=1S/C20H26N2O4S/c1-16-9-11-18(12-10-16)27(24,25)22-13-5-8-20(23)19(14-22)21-26-15-17-6-3-2-4-7-17/h2-4,6-7,9-12,19-21,23H,5,8,13-15H2,1H3/t19-,20-/m0/s1