N,N-diethyl-4-[3-(2-methylphenyl)-1-phenyl-pyrazol-4-yl]carbonyl-piperazine-1-sulfonamide

Systemtic Name: N,N-diethyl-4-[3-(2-methylphenyl)-1-phenyl-pyrazol-4-yl]carbonyl-piperazine-1-sulfonamide Openeye Name: N,N-diethyl-4-[3-(o-tolyl)-1-phenyl-pyrazole-4-carbonyl]piperazine-1-sulfonamide CAS Name: N,N-diethyl-4-[[3-(2-methylphenyl)-1-phenyl-4-pyrazolyl]-oxomethyl]-1-piperazinesulfonamide IUPAC Name: N,N-diethyl-4-[3-(2-methylphenyl)-1-phenylpyrazole-4-carbonyl]piperazine-1-sulfonamide Traditional Name: N,N-diethyl-4-[3-(o-tolyl)-1-phenyl-pyrazole-4-carbonyl]piperazine-1-sulfonamide Formula: C25H31N5O3S MolecularWeight: 481.61034

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)N1CCN(CC1)C(=O)C2=CN(N=C2C3=CC=CC=C3C)C4=CC=CC=C4

Isomeric SMILES

CCN(CC)S(=O)(=O)N1CCN(CC1)C(=O)C2=CN(N=C2C3=CC=CC=C3C)C4=CC=CC=C4

InChI

InChI=1S/C25H31N5O3S/c1-4-28(5-2)34(32,33)29-17-15-27(16-18-29)25(31)23-19-30(21-12-7-6-8-13-21)26-24(23)22-14-10-9-11-20(22)3/h6-14,19H,4-5,15-18H2,1-3H3