N-butyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyrazole-4-sulfonamide

Systemtic Name: N-butyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyrazole-4-sulfonamide Openeye Name: N-butyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyrazole-4-sulfonamide CAS Name: N-butyl-1-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-4-pyrazolesulfonamide IUPAC Name: N-butyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyrazole-4-sulfonamide Traditional Name: N-butyl-1-[4-[4-(2-pyrimidyl)piperazino]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)CCCCN2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CCCCNS(=O)(=O)C1=CN(N=C1)CCCCN2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C19H31N7O2S/c1-2-3-9-23-29(27,28)18-16-22-26(17-18)11-5-4-10-24-12-14-25(15-13-24)19-20-7-6-8-21-19/h6-8,16-17,23H,2-5,9-15H2,1H3