N-[6-methanoyl-2-propyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]benzenesulfonamide

Systemtic Name: N-[6-methanoyl-2-propyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]benzenesulfonamide Openeye Name: N-[6-formyl-2-propyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]benzenesulfonamide CAS Name: N-[6-formyl-2-propyl-3-[4-(2-pyrimidinyl)-1-piperazinyl]phenyl]benzenesulfonamide IUPAC Name: N-[6-formyl-2-propyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]benzenesulfonamide Traditional Name: N-[6-formyl-2-propyl-3-[4-(2-pyrimidyl)piperazino]phenyl]benzenesulfonamide Formula: C24H27N5O3S MolecularWeight: 465.56788

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1NS(=O)(=O)C2=CC=CC=C2)C=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CCCC1=C(C=CC(=C1NS(=O)(=O)C2=CC=CC=C2)C=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C24H27N5O3S/c1-2-7-21-22(28-14-16-29(17-15-28)24-25-12-6-13-26-24)11-10-19(18-30)23(21)27-33(31,32)20-8-4-3-5-9-20/h3-6,8-13,18,27H,2,7,14-17H2,1H3