N-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]-4-morpholin-4-ylsulfonyl-2-nitro-aniline

Systemtic Name: N-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]-4-morpholin-4-ylsulfonyl-2-nitro-aniline Openeye Name: N-[[6-(4-methylpiperazin-1-yl)-3-pyridyl]methyl]-4-morpholinosulfonyl-2-nitro-aniline CAS Name: N-[[6-(4-methyl-1-piperazinyl)-3-pyridinyl]methyl]-4-(4-morpholinylsulfonyl)-2-nitroaniline IUPAC Name: N-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]-4-morpholin-4-ylsulfonyl-2-nitroaniline Traditional Name: [6-(4-methylpiperazino)-3-pyridyl]methyl-(4-morpholinosulfonyl-2-nitro-phenyl)amine Formula: C21H28N6O5S MolecularWeight: 476.54922

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC=C(C=C2)CNC3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=NC=C(C=C2)CNC3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H28N6O5S/c1-24-6-8-25(9-7-24)21-5-2-17(16-23-21)15-22-19-4-3-18(14-20(19)27(28)29)33(30,31)26-10-12-32-13-11-26/h2-5,14,16,22H,6-13,15H2,1H3