N-(4-butylphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-benzenesulfonamide

Systemtic Name: N-(4-butylphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-benzenesulfonamide Openeye Name: N-(4-butylphenyl)-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide CAS Name: N-(4-butylphenyl)-3-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]benzenesulfonamide IUPAC Name: N-(4-butylphenyl)-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide Traditional Name: N-(4-butylphenyl)-3-[4-(2-pyrimidyl)piperazine-1-carbonyl]benzenesulfonamide Formula: C25H29N5O3S MolecularWeight: 479.59446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C25H29N5O3S/c1-2-3-6-20-9-11-22(12-10-20)28-34(32,33)23-8-4-7-21(19-23)24(31)29-15-17-30(18-16-29)25-26-13-5-14-27-25/h4-5,7-14,19,28H,2-3,6,15-18H2,1H3