N-tert-butyl-3-[[5-methyl-2-[[4-(piperazin-1-ylmethyl)phenyl]amino]pyrimidin-4-yl]amino]benzenesulfonamide

Systemtic Name: N-tert-butyl-3-[[5-methyl-2-[[4-(piperazin-1-ylmethyl)phenyl]amino]pyrimidin-4-yl]amino]benzenesulfonamide Openeye Name: N-tert-butyl-3-[[5-methyl-2-[4-(piperazin-1-ylmethyl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide CAS Name: N-tert-butyl-3-[[5-methyl-2-[4-(1-piperazinylmethyl)anilino]-4-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: N-tert-butyl-3-[[5-methyl-2-[4-(piperazin-1-ylmethyl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide Traditional Name: N-tert-butyl-3-[[5-methyl-2-[4-(piperazinomethyl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide Formula: C26H35N7O2S MolecularWeight: 509.6668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)CN4CCNCC4

Isomeric SMILES

CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)CN4CCNCC4

InChI

InChI=1S/C26H35N7O2S/c1-19-17-28-25(30-21-10-8-20(9-11-21)18-33-14-12-27-13-15-33)31-24(19)29-22-6-5-7-23(16-22)36(34,35)32-26(2,3)4/h5-11,16-17,27,32H,12-15,18H2,1-4H3,(H2,28,29,30,31)