N-tert-butyl-2-[(3-nitrophenyl)-(phenylsulfonyl)amino]ethanamide

Systemtic Name: N-tert-butyl-2-[(3-nitrophenyl)-(phenylsulfonyl)amino]ethanamide Openeye Name: 2-[N-(benzenesulfonyl)-3-nitro-anilino]-N-tert-butyl-acetamide CAS Name: 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-tert-butylacetamide IUPAC Name: 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-tert-butylacetamide Traditional Name: 2-(N-besyl-3-nitro-anilino)-N-tert-butyl-acetamide Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O5S/c1-18(2,3)19-17(22)13-20(14-8-7-9-15(12-14)21(23)24)27(25,26)16-10-5-4-6-11-16/h4-12H,13H2,1-3H3,(H,19,22)