N-[[1-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]piperidin-3-yl]methyl]methanesulfonamide

Systemtic Name: N-[[1-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]piperidin-3-yl]methyl]methanesulfonamide Openeye Name: N-[[1-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]-3-piperidyl]methyl]methanesulfonamide CAS Name: N-[[1-[4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitrophenyl]-3-piperidinyl]methyl]methanesulfonamide IUPAC Name: N-[[1-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitrophenyl]piperidin-3-yl]methyl]methanesulfonamide Traditional Name: N-[[1-[4-(4-methylpiperazino)sulfonyl-2-nitro-phenyl]-3-piperidyl]methyl]methanesulfonamide Formula: C18H29N5O6S2 MolecularWeight: 475.58276

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCCC(C3)CNS(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCCC(C3)CNS(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C18H29N5O6S2/c1-20-8-10-22(11-9-20)31(28,29)16-5-6-17(18(12-16)23(24)25)21-7-3-4-15(14-21)13-19-30(2,26)27/h5-6,12,15,19H,3-4,7-11,13-14H2,1-2H3