4-(4-methylpiperazin-1-yl)sulfonyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-nitro-aniline

Systemtic Name: 4-(4-methylpiperazin-1-yl)sulfonyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-nitro-aniline Openeye Name: 4-(4-methylpiperazin-1-yl)sulfonyl-N-[(1-morpholinocyclohexyl)methyl]-2-nitro-aniline CAS Name: 4-[(4-methyl-1-piperazinyl)sulfonyl]-N-[[1-(4-morpholinyl)cyclohexyl]methyl]-2-nitroaniline IUPAC Name: 4-(4-methylpiperazin-1-yl)sulfonyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-nitroaniline Traditional Name: [4-(4-methylpiperazino)sulfonyl-2-nitro-phenyl]-[(1-morpholinocyclohexyl)methyl]amine Formula: C22H35N5O5S MolecularWeight: 481.6088

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC3(CCCCC3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC3(CCCCC3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H35N5O5S/c1-24-9-11-26(12-10-24)33(30,31)19-5-6-20(21(17-19)27(28)29)23-18-22(7-3-2-4-8-22)25-13-15-32-16-14-25/h5-6,17,23H,2-4,7-16,18H2,1H3