4-[2,5-dimethyl-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanoyl]pyrrol-1-yl]benzenesulfonamide

Systemtic Name: 4-[2,5-dimethyl-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanoyl]pyrrol-1-yl]benzenesulfonamide Openeye Name: 4-[2,5-dimethyl-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]pyrrol-1-yl]benzenesulfonamide CAS Name: 4-[2,5-dimethyl-3-[1-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-1-pyrrolyl]benzenesulfonamide IUPAC Name: 4-[2,5-dimethyl-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]pyrrol-1-yl]benzenesulfonamide Traditional Name: 4-[2,5-dimethyl-3-[2-[4-(2-pyrimidyl)piperazino]acetyl]pyrrol-1-yl]benzenesulfonamide Formula: C22H26N6O3S MolecularWeight: 454.54524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)S(=O)(=O)N)C)C(=O)CN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)S(=O)(=O)N)C)C(=O)CN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C22H26N6O3S/c1-16-14-20(17(2)28(16)18-4-6-19(7-5-18)32(23,30)31)21(29)15-26-10-12-27(13-11-26)22-24-8-3-9-25-22/h3-9,14H,10-13,15H2,1-2H3,(H2,23,30,31)