4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-3-nitro-N-propan-2-yl-benzenesulfonamide

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-3-nitro-N-propan-2-yl-benzenesulfonamide Openeye Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-isopropyl-3-nitro-benzenesulfonamide CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-3-nitro-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-3-nitro-N-propan-2-ylbenzenesulfonamide Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-isopropyl-3-nitro-benzenesulfonamide Formula: C17H18N2O6S2 MolecularWeight: 410.46462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)SC2=CC3=C(C=C2)OCCO3)[N+](=O)[O-]

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)SC2=CC3=C(C=C2)OCCO3)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O6S2/c1-11(2)18-27(22,23)13-4-6-17(14(10-13)19(20)21)26-12-3-5-15-16(9-12)25-8-7-24-15/h3-6,9-11,18H,7-8H2,1-2H3