2-nitro-4-[3-nitro-4-(pentylamino)phenyl]sulfonyl-N-pentyl-aniline

Systemtic Name: 2-nitro-4-[3-nitro-4-(pentylamino)phenyl]sulfonyl-N-pentyl-aniline Openeye Name: 2-nitro-4-[3-nitro-4-(pentylamino)phenyl]sulfonyl-N-pentyl-aniline CAS Name: 2-nitro-4-[3-nitro-4-(pentylamino)phenyl]sulfonyl-N-pentylaniline IUPAC Name: 2-nitro-4-[3-nitro-4-(pentylamino)phenyl]sulfonyl-N-pentylaniline Traditional Name: amyl-[4-[4-(amylamino)-3-nitro-phenyl]sulfonyl-2-nitro-phenyl]amine Formula: C22H30N4O6S MolecularWeight: 478.5618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=C(C=C(C=C1)S(=O)(=O)C2=CC(=C(C=C2)NCCCCC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCNC1=C(C=C(C=C1)S(=O)(=O)C2=CC(=C(C=C2)NCCCCC)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H30N4O6S/c1-3-5-7-13-23-19-11-9-17(15-21(19)25(27)28)33(31,32)18-10-12-20(22(16-18)26(29)30)24-14-8-6-4-2/h9-12,15-16,23-24H,3-8,13-14H2,1-2H3