N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-butyl-4-chloranyl-3-nitro-benzenesulfonamide

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-butyl-4-chloranyl-3-nitro-benzenesulfonamide Openeye Name: N-butyl-4-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-3-nitro-benzenesulfonamide CAS Name: N-butyl-4-chloro-N-[(3S)-1,1-dioxo-3-thiolanyl]-3-nitrobenzenesulfonamide IUPAC Name: N-butyl-4-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-3-nitrobenzenesulfonamide Traditional Name: N-butyl-4-chloro-N-[(3S)-1,1-diketothiolan-3-yl]-3-nitro-benzenesulfonamide Formula: C14H19ClN2O6S2 MolecularWeight: 410.89346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1CCS(=O)(=O)C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H19ClN2O6S2/c1-2-3-7-16(11-6-8-24(20,21)10-11)25(22,23)12-4-5-13(15)14(9-12)17(18)19/h4-5,9,11H,2-3,6-8,10H2,1H3/t11-/m0/s1