N-[3-(cyclohexylamino)-6-nitro-quinoxalin-2-yl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[3-(cyclohexylamino)-6-nitro-quinoxalin-2-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[3-(cyclohexylamino)-6-nitro-quinoxalin-2-yl]-4-methyl-benzenesulfonamide CAS Name: N-[3-(cyclohexylamino)-6-nitro-2-quinoxalinyl]-4-methylbenzenesulfonamide IUPAC Name: N-[3-(cyclohexylamino)-6-nitroquinoxalin-2-yl]-4-methylbenzenesulfonamide Traditional Name: N-[3-(cyclohexylamino)-6-nitro-quinoxalin-2-yl]-4-methyl-benzenesulfonamide Formula: C21H23N5O4S MolecularWeight: 441.50342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=C(C=C(C=C3)[N+](=O)[O-])N=C2NC4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=C(C=C(C=C3)[N+](=O)[O-])N=C2NC4CCCCC4

InChI

InChI=1S/C21H23N5O4S/c1-14-7-10-17(11-8-14)31(29,30)25-21-20(22-15-5-3-2-4-6-15)24-19-13-16(26(27)28)9-12-18(19)23-21/h7-13,15H,2-6H2,1H3,(H,22,24)(H,23,25)