N-[4-cyano-5-(phenylmethyl)-2-propyl-pyrazol-3-yl]-2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[4-cyano-5-(phenylmethyl)-2-propyl-pyrazol-3-yl]-2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-(5-benzyl-4-cyano-2-propyl-pyrazol-3-yl)-2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-benzamide CAS Name: N-[4-cyano-5-(phenylmethyl)-2-propyl-3-pyrazolyl]-2-ethoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-(5-benzyl-4-cyano-2-propylpyrazol-3-yl)-2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylbenzamide Traditional Name: N-(5-benzyl-4-cyano-2-propyl-pyrazol-3-yl)-2-ethoxy-5-(4-methylpiperazino)sulfonyl-benzamide Formula: C28H34N6O4S MolecularWeight: 550.67236

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=N1)CC2=CC=CC=C2)C#N)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC

Isomeric SMILES

CCCN1C(=C(C(=N1)CC2=CC=CC=C2)C#N)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC

InChI

InChI=1S/C28H34N6O4S/c1-4-13-34-27(24(20-29)25(31-34)18-21-9-7-6-8-10-21)30-28(35)23-19-22(11-12-26(23)38-5-2)39(36,37)33-16-14-32(3)15-17-33/h6-12,19H,4-5,13-18H2,1-3H3,(H,30,35)