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

Systemtic Name: N-phenyl-1-(4-piperazin-1-yl-4-pyrimidin-2-yl-butyl)pyrazole-4-sulfonamide Openeye Name: N-phenyl-1-(4-piperazin-1-yl-4-pyrimidin-2-yl-butyl)pyrazole-4-sulfonamide CAS Name: N-phenyl-1-[4-(1-piperazinyl)-4-(2-pyrimidinyl)butyl]-4-pyrazolesulfonamide IUPAC Name: N-phenyl-1-(4-piperazin-1-yl-4-pyrimidin-2-ylbutyl)pyrazole-4-sulfonamide Traditional Name: N-phenyl-1-[4-piperazino-4-(2-pyrimidyl)butyl]pyrazole-4-sulfonamide Formula: C21H27N7O2S MolecularWeight: 441.54978

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(CCCN2C=C(C=N2)S(=O)(=O)NC3=CC=CC=C3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1)C(CCCN2C=C(C=N2)S(=O)(=O)NC3=CC=CC=C3)C4=NC=CC=N4

InChI

InChI=1S/C21H27N7O2S/c29-31(30,26-18-6-2-1-3-7-18)19-16-25-28(17-19)13-4-8-20(21-23-9-5-10-24-21)27-14-11-22-12-15-27/h1-3,5-7,9-10,16-17,20,22,26H,4,8,11-15H2