N-[3-[[(2S)-2-(4-nitrophenyl)-2-oxidanyl-ethyl]amino]quinoxalin-2-yl]benzenesulfonamide

Systemtic Name: N-[3-[[(2S)-2-(4-nitrophenyl)-2-oxidanyl-ethyl]amino]quinoxalin-2-yl]benzenesulfonamide Openeye Name: N-[3-[[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]amino]quinoxalin-2-yl]benzenesulfonamide CAS Name: N-[3-[[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]amino]-2-quinoxalinyl]benzenesulfonamide IUPAC Name: N-[3-[[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]amino]quinoxalin-2-yl]benzenesulfonamide Traditional Name: N-[3-[[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]amino]quinoxalin-2-yl]benzenesulfonamide Formula: C22H19N5O5S MolecularWeight: 465.48176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NCC(C4=CC=C(C=C4)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC[C@H](C4=CC=C(C=C4)[N+](=O)[O-])O

InChI

InChI=1S/C22H19N5O5S/c28-20(15-10-12-16(13-11-15)27(29)30)14-23-21-22(25-19-9-5-4-8-18(19)24-21)26-33(31,32)17-6-2-1-3-7-17/h1-13,20,28H,14H2,(H,23,24)(H,25,26)/t20-/m1/s1