N-[(4-tert-butylphenyl)methyl]-2-nitro-benzenesulfonamide

Systemtic Name: N-[(4-tert-butylphenyl)methyl]-2-nitro-benzenesulfonamide Openeye Name: N-[(4-tert-butylphenyl)methyl]-2-nitro-benzenesulfonamide CAS Name: N-[(4-tert-butylphenyl)methyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[(4-tert-butylphenyl)methyl]-2-nitrobenzenesulfonamide Traditional Name: N-(4-tert-butylbenzyl)-2-nitro-benzenesulfonamide Formula: C17H20N2O4S MolecularWeight: 348.4167

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O4S/c1-17(2,3)14-10-8-13(9-11-14)12-18-24(22,23)16-7-5-4-6-15(16)19(20)21/h4-11,18H,12H2,1-3H3