4-[[4-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]pyrimidin-2-yl]amino]benzenesulfonamide

Systemtic Name: 4-[[4-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]pyrimidin-2-yl]amino]benzenesulfonamide Openeye Name: 4-[[4-[5-[(4-methylpiperazin-1-yl)methyl]-2-thienyl]pyrimidin-2-yl]amino]benzenesulfonamide CAS Name: 4-[[4-[5-[(4-methyl-1-piperazinyl)methyl]-2-thiophenyl]-2-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: 4-[[4-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]pyrimidin-2-yl]amino]benzenesulfonamide Traditional Name: 4-[[4-[5-[(4-methylpiperazino)methyl]-2-thienyl]pyrimidin-2-yl]amino]benzenesulfonamide Formula: C20H24N6O2S2 MolecularWeight: 444.57356

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=CC=C(S2)C3=NC(=NC=C3)NC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

CN1CCN(CC1)CC2=CC=C(S2)C3=NC(=NC=C3)NC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C20H24N6O2S2/c1-25-10-12-26(13-11-25)14-16-4-7-19(29-16)18-8-9-22-20(24-18)23-15-2-5-17(6-3-15)30(21,27)28/h2-9H,10-14H2,1H3,(H2,21,27,28)(H,22,23,24)