N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-3-(4-methylpiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-3-(4-methylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-(4-methylpiperazin-1-yl)sulfonyl-benzamide CAS Name: N-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-3-[(4-methyl-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide Traditional Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-(4-methylpiperazino)sulfonyl-benzamide Formula: C25H31N5O3S MolecularWeight: 481.61034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCN(CC4)C

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCN(CC4)C

InChI

InChI=1S/C25H31N5O3S/c1-19-24(20(2)30(27-19)18-21-8-5-4-6-9-21)17-26-25(31)22-10-7-11-23(16-22)34(32,33)29-14-12-28(3)13-15-29/h4-11,16H,12-15,17-18H2,1-3H3,(H,26,31)