N-[3-(1,3-benzoxazol-4-ylamino)quinoxalin-2-yl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[3-(1,3-benzoxazol-4-ylamino)quinoxalin-2-yl]-3-nitro-benzenesulfonamide Openeye Name: N-[3-(1,3-benzoxazol-4-ylamino)quinoxalin-2-yl]-3-nitro-benzenesulfonamide CAS Name: N-[3-(1,3-benzoxazol-4-ylamino)-2-quinoxalinyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[3-(1,3-benzoxazol-4-ylamino)quinoxalin-2-yl]-3-nitrobenzenesulfonamide Traditional Name: N-[3-(1,3-benzoxazol-4-ylamino)quinoxalin-2-yl]-3-nitro-benzenesulfonamide Formula: C21H14N6O5S MolecularWeight: 462.43806

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(C(=N2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])NC4=C5C(=CC=C4)OC=N5

Isomeric SMILES

C1=CC=C2C(=C1)N=C(C(=N2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])NC4=C5C(=CC=C4)OC=N5

InChI

InChI=1S/C21H14N6O5S/c28-27(29)13-5-3-6-14(11-13)33(30,31)26-21-20(23-15-7-1-2-8-16(15)24-21)25-17-9-4-10-18-19(17)22-12-32-18/h1-12H,(H,23,25)(H,24,26)