N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-4-chloranyl-N-(2-methylpropyl)-3-nitro-benzenesulfonamide

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-4-chloranyl-N-(2-methylpropyl)-3-nitro-benzenesulfonamide Openeye Name: 4-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N-isobutyl-3-nitro-benzenesulfonamide CAS Name: 4-chloro-N-[(3S)-1,1-dioxo-3-thiolanyl]-N-(2-methylpropyl)-3-nitrobenzenesulfonamide IUPAC Name: 4-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)-3-nitrobenzenesulfonamide Traditional Name: 4-chloro-N-[(3S)-1,1-diketothiolan-3-yl]-N-isobutyl-3-nitro-benzenesulfonamide Formula: C14H19ClN2O6S2 MolecularWeight: 410.89346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19ClN2O6S2/c1-10(2)8-16(11-5-6-24(20,21)9-11)25(22,23)12-3-4-13(15)14(7-12)17(18)19/h3-4,7,10-11H,5-6,8-9H2,1-2H3/t11-/m0/s1