N-butyl-1-(4-piperazin-1-yl-4-pyrimidin-2-yl-butyl)pyrazole-4-sulfonamide

Systemtic Name: N-butyl-1-(4-piperazin-1-yl-4-pyrimidin-2-yl-butyl)pyrazole-4-sulfonamide Openeye Name: N-butyl-1-(4-piperazin-1-yl-4-pyrimidin-2-yl-butyl)pyrazole-4-sulfonamide CAS Name: N-butyl-1-[4-(1-piperazinyl)-4-(2-pyrimidinyl)butyl]-4-pyrazolesulfonamide IUPAC Name: N-butyl-1-(4-piperazin-1-yl-4-pyrimidin-2-ylbutyl)pyrazole-4-sulfonamide Traditional Name: N-butyl-1-[4-piperazino-4-(2-pyrimidyl)butyl]pyrazole-4-sulfonamide Formula: C19H31N7O2S MolecularWeight: 421.56014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNS(=O)(=O)C1=CN(N=C1)CCCC(C2=NC=CC=N2)N3CCNCC3

Isomeric SMILES

CCCCNS(=O)(=O)C1=CN(N=C1)CCCC(C2=NC=CC=N2)N3CCNCC3

InChI

InChI=1S/C19H31N7O2S/c1-2-3-9-24-29(27,28)17-15-23-26(16-17)12-4-6-18(19-21-7-5-8-22-19)25-13-10-20-11-14-25/h5,7-8,15-16,18,20,24H,2-4,6,9-14H2,1H3