5-[[2-ethoxy-5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-phenyl]carbonylamino]-3-(phenylmethyl)-1-propyl-pyrazole-4-carboxamide

Systemtic Name: 5-[[2-ethoxy-5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-phenyl]carbonylamino]-3-(phenylmethyl)-1-propyl-pyrazole-4-carboxamide Openeye Name: 3-benzyl-5-[[2-ethoxy-5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-benzoyl]amino]-1-propyl-pyrazole-4-carboxamide CAS Name: 5-[[[2-ethoxy-5-[[4-(2-hydroxyethyl)-1-piperazinyl]sulfonyl]phenyl]-oxomethyl]amino]-3-(phenylmethyl)-1-propyl-4-pyrazolecarboxamide IUPAC Name: 3-benzyl-5-[[2-ethoxy-5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylbenzoyl]amino]-1-propylpyrazole-4-carboxamide Traditional Name: 3-benzyl-5-[[2-ethoxy-5-[4-(2-hydroxyethyl)piperazino]sulfonyl-benzoyl]amino]-1-propyl-pyrazole-4-carboxamide Formula: C29H38N6O6S MolecularWeight: 598.71362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H38N6O6S/c1-3-12-35-28(26(27(30)37)24(32-35)19-21-8-6-5-7-9-21)31-29(38)23-20-22(10-11-25(23)41-4-2)42(39,40)34-15-13-33(14-16-34)17-18-36/h5-11,20,36H,3-4,12-19H2,1-2H3,(H2,30,37)(H,31,38)