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

Systemtic Name: 1-(4-piperazin-1-yl-4-pyrimidin-2-yl-butyl)-N-propyl-pyrazole-4-sulfonamide Openeye Name: 1-(4-piperazin-1-yl-4-pyrimidin-2-yl-butyl)-N-propyl-pyrazole-4-sulfonamide CAS Name: 1-[4-(1-piperazinyl)-4-(2-pyrimidinyl)butyl]-N-propyl-4-pyrazolesulfonamide IUPAC Name: 1-(4-piperazin-1-yl-4-pyrimidin-2-ylbutyl)-N-propylpyrazole-4-sulfonamide Traditional Name: 1-[4-piperazino-4-(2-pyrimidyl)butyl]-N-propyl-pyrazole-4-sulfonamide Formula: C18H29N7O2S MolecularWeight: 407.53356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N7O2S/c1-2-6-23-28(26,27)16-14-22-25(15-16)11-3-5-17(18-20-7-4-8-21-18)24-12-9-19-10-13-24/h4,7-8,14-15,17,19,23H,2-3,5-6,9-13H2,1H3