N-(4-ethoxy-2-methyl-5-propyl-pyrazol-3-yl)-2-(4-methylpiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(4-ethoxy-2-methyl-5-propyl-pyrazol-3-yl)-2-(4-methylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-(4-ethoxy-2-methyl-5-propyl-pyrazol-3-yl)-2-(4-methylpiperazin-1-yl)sulfonyl-benzamide CAS Name: N-(4-ethoxy-2-methyl-5-propyl-3-pyrazolyl)-2-[(4-methyl-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-(4-ethoxy-2-methyl-5-propylpyrazol-3-yl)-2-(4-methylpiperazin-1-yl)sulfonylbenzamide Traditional Name: N-(4-ethoxy-2-methyl-5-propyl-pyrazol-3-yl)-2-(4-methylpiperazino)sulfonyl-benzamide Formula: C21H31N5O4S MolecularWeight: 449.56694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1OCC)NC(=O)C2=CC=CC=C2S(=O)(=O)N3CCN(CC3)C)C

Isomeric SMILES

CCCC1=NN(C(=C1OCC)NC(=O)C2=CC=CC=C2S(=O)(=O)N3CCN(CC3)C)C

InChI

InChI=1S/C21H31N5O4S/c1-5-9-17-19(30-6-2)20(25(4)23-17)22-21(27)16-10-7-8-11-18(16)31(28,29)26-14-12-24(3)13-15-26/h7-8,10-11H,5-6,9,12-15H2,1-4H3,(H,22,27)