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

Systemtic Name: N-[1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyrazol-4-yl]butane-1-sulfonamide Openeye Name: N-[1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyrazol-4-yl]butane-1-sulfonamide CAS Name: N-[1-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-4-pyrazolyl]-1-butanesulfonamide IUPAC Name: N-[1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyrazol-4-yl]butane-1-sulfonamide Traditional Name: N-[1-[4-[4-(2-pyrimidyl)piperazino]butyl]pyrazol-4-yl]butane-1-sulfonamide Formula: C19H31N7O2S MolecularWeight: 421.56014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC1=CN(N=C1)CCCCN2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CCCCS(=O)(=O)NC1=CN(N=C1)CCCCN2CCN(CC2)C3=NC=CC=N3

InChI

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