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

Systemtic Name: N-(4-methylphenyl)-1-(4-piperazin-1-yl-4-pyrimidin-2-yl-butyl)pyrazole-4-sulfonamide Openeye Name: 1-(4-piperazin-1-yl-4-pyrimidin-2-yl-butyl)-N-(p-tolyl)pyrazole-4-sulfonamide CAS Name: N-(4-methylphenyl)-1-[4-(1-piperazinyl)-4-(2-pyrimidinyl)butyl]-4-pyrazolesulfonamide IUPAC Name: N-(4-methylphenyl)-1-(4-piperazin-1-yl-4-pyrimidin-2-ylbutyl)pyrazole-4-sulfonamide Traditional Name: 1-[4-piperazino-4-(2-pyrimidyl)butyl]-N-(p-tolyl)pyrazole-4-sulfonamide Formula: C22H29N7O2S MolecularWeight: 455.57636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NS(=O)(=O)C2=CN(N=C2)CCCC(C3=NC=CC=N3)N4CCNCC4

Isomeric SMILES

CC1=CC=C(C=C1)NS(=O)(=O)C2=CN(N=C2)CCCC(C3=NC=CC=N3)N4CCNCC4

InChI

InChI=1S/C22H29N7O2S/c1-18-5-7-19(8-6-18)27-32(30,31)20-16-26-29(17-20)13-2-4-21(22-24-9-3-10-25-22)28-14-11-23-12-15-28/h3,5-10,16-17,21,23,27H,2,4,11-15H2,1H3