(6S,7S)-7-but-3-enyl-6-methyl-5-(4-methylphenyl)sulfonyl-1,3,5-dioxazepane

Systemtic Name: (6S,7S)-7-but-3-enyl-6-methyl-5-(4-methylphenyl)sulfonyl-1,3,5-dioxazepane Openeye Name: (6S,7S)-7-but-3-enyl-6-methyl-5-(p-tolylsulfonyl)-1,3,5-dioxazepane CAS Name: (6S,7S)-7-but-3-enyl-6-methyl-5-(4-methylphenyl)sulfonyl-1,3,5-dioxazepane IUPAC Name: (6S,7S)-7-but-3-enyl-6-methyl-5-(4-methylphenyl)sulfonyl-1,3,5-dioxazepane Traditional Name: (6S,7S)-7-but-3-enyl-6-methyl-5-tosyl-1,3,5-dioxazepane Formula: C16H23NO4S MolecularWeight: 325.42312

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OCOCN1S(=O)(=O)C2=CC=C(C=C2)C)CCC=C

Isomeric SMILES

C[C@H]1[C@@H](OCOCN1S(=O)(=O)C2=CC=C(C=C2)C)CCC=C

InChI

InChI=1S/C16H23NO4S/c1-4-5-6-16-14(3)17(11-20-12-21-16)22(18,19)15-9-7-13(2)8-10-15/h4,7-10,14,16H,1,5-6,11-12H2,2-3H3/t14-,16-/m0/s1