[4-(cyclopropylamino)-3-nitro-phenyl]-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: [4-(cyclopropylamino)-3-nitro-phenyl]-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methanone Openeye Name: [4-(cyclopropylamino)-3-nitro-phenyl]-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methanone CAS Name: [4-(cyclopropylamino)-3-nitrophenyl]-[4-[(4-methyl-1-piperazinyl)sulfonyl]-1-piperazinyl]methanone IUPAC Name: [4-(cyclopropylamino)-3-nitrophenyl]-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methanone Traditional Name: [4-(cyclopropylamino)-3-nitro-phenyl]-[4-(4-methylpiperazino)sulfonylpiperazino]methanone Formula: C19H28N6O5S MolecularWeight: 452.52782

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

InChI

InChI=1S/C19H28N6O5S/c1-21-6-10-23(11-7-21)31(29,30)24-12-8-22(9-13-24)19(26)15-2-5-17(20-16-3-4-16)18(14-15)25(27)28/h2,5,14,16,20H,3-4,6-13H2,1H3