N-tert-butyl-3-[(4-ethanoyl-2-nitro-phenyl)amino]benzenesulfonamide

Systemtic Name: N-tert-butyl-3-[(4-ethanoyl-2-nitro-phenyl)amino]benzenesulfonamide Openeye Name: 3-(4-acetyl-2-nitro-anilino)-N-tert-butyl-benzenesulfonamide CAS Name: 3-(4-acetyl-2-nitroanilino)-N-tert-butylbenzenesulfonamide IUPAC Name: 3-(4-acetyl-2-nitroanilino)-N-tert-butylbenzenesulfonamide Traditional Name: 3-(4-acetyl-2-nitro-anilino)-N-tert-butyl-benzenesulfonamide Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O5S/c1-12(22)13-8-9-16(17(10-13)21(23)24)19-14-6-5-7-15(11-14)27(25,26)20-18(2,3)4/h5-11,19-20H,1-4H3