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

Systemtic Name: N-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]-2-nitro-4-piperidin-1-ylsulfonyl-aniline Openeye Name: N-[[6-(4-methylpiperazin-1-yl)-3-pyridyl]methyl]-2-nitro-4-(1-piperidylsulfonyl)aniline CAS Name: N-[[6-(4-methyl-1-piperazinyl)-3-pyridinyl]methyl]-2-nitro-4-(1-piperidinylsulfonyl)aniline IUPAC Name: N-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]-2-nitro-4-piperidin-1-ylsulfonylaniline Traditional Name: [6-(4-methylpiperazino)-3-pyridyl]methyl-(2-nitro-4-piperidinosulfonyl-phenyl)amine Formula: C22H30N6O4S MolecularWeight: 474.5764

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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)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=NC=C(C=C2)CNC3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H30N6O4S/c1-25-11-13-26(14-12-25)22-8-5-18(17-24-22)16-23-20-7-6-19(15-21(20)28(29)30)33(31,32)27-9-3-2-4-10-27/h5-8,15,17,23H,2-4,9-14,16H2,1H3