5-tert-butyl-2-methyl-N-[3-(naphthalen-1-ylamino)quinoxalin-2-yl]benzenesulfonamide

Systemtic Name: 5-tert-butyl-2-methyl-N-[3-(naphthalen-1-ylamino)quinoxalin-2-yl]benzenesulfonamide Openeye Name: 5-tert-butyl-2-methyl-N-[3-(1-naphthylamino)quinoxalin-2-yl]benzenesulfonamide CAS Name: 5-tert-butyl-2-methyl-N-[3-(1-naphthalenylamino)-2-quinoxalinyl]benzenesulfonamide IUPAC Name: 5-tert-butyl-2-methyl-N-[3-(naphthalen-1-ylamino)quinoxalin-2-yl]benzenesulfonamide Traditional Name: 5-tert-butyl-2-methyl-N-[3-(1-naphthylamino)quinoxalin-2-yl]benzenesulfonamide Formula: C29H28N4O2S MolecularWeight: 496.62322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)(C)C)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)(C)C)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C29H28N4O2S/c1-19-16-17-21(29(2,3)4)18-26(19)36(34,35)33-28-27(31-24-13-7-8-14-25(24)32-28)30-23-15-9-11-20-10-5-6-12-22(20)23/h5-18H,1-4H3,(H,30,31)(H,32,33)