N-[(E)-1-(cyclohexylamino)-2-nitro-ethenyl]-2-[(3-methylphenyl)amino]-5-nitro-benzenesulfonamide

Systemtic Name: N-[(E)-1-(cyclohexylamino)-2-nitro-ethenyl]-2-[(3-methylphenyl)amino]-5-nitro-benzenesulfonamide Openeye Name: N-[(E)-1-(cyclohexylamino)-2-nitro-vinyl]-2-(3-methylanilino)-5-nitro-benzenesulfonamide CAS Name: N-[(E)-1-(cyclohexylamino)-2-nitroethenyl]-2-(3-methylanilino)-5-nitrobenzenesulfonamide IUPAC Name: N-[(E)-1-(cyclohexylamino)-2-nitroethenyl]-2-(3-methylanilino)-5-nitrobenzenesulfonamide Traditional Name: N-[(E)-1-(cyclohexylamino)-2-nitro-vinyl]-2-(m-toluidino)-5-nitro-benzenesulfonamide Formula: C21H25N5O6S MolecularWeight: 475.5181

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)NC(=C[N+](=O)[O-])NC3CCCCC3

Isomeric SMILES

CC1=CC(=CC=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N/C(=C/[N+](=O)[O-])/NC3CCCCC3

InChI

InChI=1S/C21H25N5O6S/c1-15-6-5-9-17(12-15)22-19-11-10-18(26(29)30)13-20(19)33(31,32)24-21(14-25(27)28)23-16-7-3-2-4-8-16/h5-6,9-14,16,22-24H,2-4,7-8H2,1H3/b21-14+