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

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-4-chloranyl-3-nitro-N-propyl-benzenesulfonamide Openeye Name: 4-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-3-nitro-N-propyl-benzenesulfonamide CAS Name: 4-chloro-N-[(3S)-1,1-dioxo-3-thiolanyl]-3-nitro-N-propylbenzenesulfonamide IUPAC Name: 4-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-3-nitro-N-propylbenzenesulfonamide Traditional Name: 4-chloro-N-[(3S)-1,1-diketothiolan-3-yl]-3-nitro-N-propyl-benzenesulfonamide Formula: C13H17ClN2O6S2 MolecularWeight: 396.86688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17ClN2O6S2/c1-2-6-15(10-5-7-23(19,20)9-10)24(21,22)11-3-4-12(14)13(8-11)16(17)18/h3-4,8,10H,2,5-7,9H2,1H3/t10-/m0/s1