4-[[1,1-bis(oxidanylidene)thiolan-3-yl]amino]-3-nitro-N-propan-2-yl-benzenesulfonamide

Systemtic Name: 4-[[1,1-bis(oxidanylidene)thiolan-3-yl]amino]-3-nitro-N-propan-2-yl-benzenesulfonamide Openeye Name: 4-[(1,1-dioxothiolan-3-yl)amino]-N-isopropyl-3-nitro-benzenesulfonamide CAS Name: 4-[(1,1-dioxo-3-thiolanyl)amino]-3-nitro-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-[(1,1-dioxothiolan-3-yl)amino]-3-nitro-N-propan-2-ylbenzenesulfonamide Traditional Name: 4-[(1,1-diketothiolan-3-yl)amino]-N-isopropyl-3-nitro-benzenesulfonamide Formula: C13H19N3O6S2 MolecularWeight: 377.43646

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)NC2CCS(=O)(=O)C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)NC2CCS(=O)(=O)C2)[N+](=O)[O-]

InChI

InChI=1S/C13H19N3O6S2/c1-9(2)15-24(21,22)11-3-4-12(13(7-11)16(17)18)14-10-5-6-23(19,20)8-10/h3-4,7,9-10,14-15H,5-6,8H2,1-2H3