N-[4-[2-[[4-(4-ethanoylpiperazin-1-yl)carbonylphenyl]amino]pyrimidin-4-yl]phenyl]benzenesulfonamide

Systemtic Name: N-[4-[2-[[4-(4-ethanoylpiperazin-1-yl)carbonylphenyl]amino]pyrimidin-4-yl]phenyl]benzenesulfonamide Openeye Name: N-[4-[2-[4-(4-acetylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]phenyl]benzenesulfonamide CAS Name: N-[4-[2-[4-[(4-acetyl-1-piperazinyl)-oxomethyl]anilino]-4-pyrimidinyl]phenyl]benzenesulfonamide IUPAC Name: N-[4-[2-[4-(4-acetylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]phenyl]benzenesulfonamide Traditional Name: N-[4-[2-[4-(4-acetylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]phenyl]benzenesulfonamide Formula: C29H28N6O4S MolecularWeight: 556.63542

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)NC3=NC=CC(=N3)C4=CC=C(C=C4)NS(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)NC3=NC=CC(=N3)C4=CC=C(C=C4)NS(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C29H28N6O4S/c1-21(36)34-17-19-35(20-18-34)28(37)23-9-11-24(12-10-23)31-29-30-16-15-27(32-29)22-7-13-25(14-8-22)33-40(38,39)26-5-3-2-4-6-26/h2-16,33H,17-20H2,1H3,(H,30,31,32)