N,N,3,5-tetramethyl-1-(4-piperazin-1-yl-4-pyrimidin-2-yl-butyl)pyrazole-4-sulfonamide

Systemtic Name: N,N,3,5-tetramethyl-1-(4-piperazin-1-yl-4-pyrimidin-2-yl-butyl)pyrazole-4-sulfonamide Openeye Name: N,N,3,5-tetramethyl-1-(4-piperazin-1-yl-4-pyrimidin-2-yl-butyl)pyrazole-4-sulfonamide CAS Name: N,N,3,5-tetramethyl-1-[4-(1-piperazinyl)-4-(2-pyrimidinyl)butyl]-4-pyrazolesulfonamide IUPAC Name: N,N,3,5-tetramethyl-1-(4-piperazin-1-yl-4-pyrimidin-2-ylbutyl)pyrazole-4-sulfonamide Traditional Name: N,N,3,5-tetramethyl-1-[4-piperazino-4-(2-pyrimidyl)butyl]pyrazole-4-sulfonamide Formula: C19H31N7O2S MolecularWeight: 421.56014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCC(C2=NC=CC=N2)N3CCNCC3)C)S(=O)(=O)N(C)C

Isomeric SMILES

CC1=C(C(=NN1CCCC(C2=NC=CC=N2)N3CCNCC3)C)S(=O)(=O)N(C)C

InChI

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