5-[[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]carbonylamino]-N-(phenylmethoxymethyl)-1-propyl-pyrazole-4-carboxamide

Systemtic Name: 5-[[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]carbonylamino]-N-(phenylmethoxymethyl)-1-propyl-pyrazole-4-carboxamide Openeye Name: N-(benzyloxymethyl)-5-[[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-benzoyl]amino]-1-propyl-pyrazole-4-carboxamide CAS Name: 5-[[[2-ethoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-oxomethyl]amino]-N-(phenylmethoxymethyl)-1-propyl-4-pyrazolecarboxamide IUPAC Name: 5-[[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylbenzoyl]amino]-N-(phenylmethoxymethyl)-1-propylpyrazole-4-carboxamide Traditional Name: N-(benzoxymethyl)-5-[[2-ethoxy-5-(4-methylpiperazino)sulfonyl-benzoyl]amino]-1-propyl-pyrazole-4-carboxamide Formula: C29H38N6O6S MolecularWeight: 598.71362

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C=N1)C(=O)NCOCC2=CC=CC=C2)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC

Isomeric SMILES

CCCN1C(=C(C=N1)C(=O)NCOCC2=CC=CC=C2)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC

InChI

InChI=1S/C29H38N6O6S/c1-4-13-35-27(25(19-31-35)28(36)30-21-40-20-22-9-7-6-8-10-22)32-29(37)24-18-23(11-12-26(24)41-5-2)42(38,39)34-16-14-33(3)15-17-34/h6-12,18-19H,4-5,13-17,20-21H2,1-3H3,(H,30,36)(H,32,37)