(6S)-6-butyl-5-[(3-nitrophenyl)methyl]-1,4,5-oxathiazepane 4,4-dioxide

Systemtic Name: (6S)-6-butyl-5-[(3-nitrophenyl)methyl]-1,4,5-oxathiazepane 4,4-dioxide Openeye Name: (6S)-6-butyl-5-[(3-nitrophenyl)methyl]-1,4,5-oxathiazepane 4,4-dioxide CAS Name: (6S)-6-butyl-5-[(3-nitrophenyl)methyl]-1,4,5-oxathiazepane 4,4-dioxide IUPAC Name: (6S)-6-butyl-5-[(3-nitrophenyl)methyl]-1,4,5-oxathiazepane 4,4-dioxide Traditional Name: (6S)-6-butyl-5-(3-nitrobenzyl)-1,4,5-oxathiazepane 4,4-dioxide Formula: C15H22N2O5S MolecularWeight: 342.41058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1COCCS(=O)(=O)N1CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCC[C@H]1COCCS(=O)(=O)N1CC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H22N2O5S/c1-2-3-6-15-12-22-8-9-23(20,21)16(15)11-13-5-4-7-14(10-13)17(18)19/h4-5,7,10,15H,2-3,6,8-9,11-12H2,1H3/t15-/m0/s1