N-tert-butyl-4-(2-hydroxyethylsulfanyl)-3-nitro-benzenesulfonamide

Systemtic Name: N-tert-butyl-4-(2-hydroxyethylsulfanyl)-3-nitro-benzenesulfonamide Openeye Name: N-tert-butyl-4-(2-hydroxyethylsulfanyl)-3-nitro-benzenesulfonamide CAS Name: N-tert-butyl-4-(2-hydroxyethylthio)-3-nitrobenzenesulfonamide IUPAC Name: N-tert-butyl-4-(2-hydroxyethylsulfanyl)-3-nitrobenzenesulfonamide Traditional Name: N-tert-butyl-4-(2-hydroxyethylthio)-3-nitro-benzenesulfonamide Formula: C12H18N2O5S2 MolecularWeight: 334.41172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O5S2/c1-12(2,3)13-21(18,19)9-4-5-11(20-7-6-15)10(8-9)14(16)17/h4-5,8,13,15H,6-7H2,1-3H3