3-[[2-ethoxy-5-[4-(3-fluoranylpropyl)piperazin-1-yl]sulfonyl-phenyl]carbonylamino]-1,4-diethyl-pyrrole-2-carboxamide

Systemtic Name: 3-[[2-ethoxy-5-[4-(3-fluoranylpropyl)piperazin-1-yl]sulfonyl-phenyl]carbonylamino]-1,4-diethyl-pyrrole-2-carboxamide Openeye Name: 3-[[2-ethoxy-5-[4-(3-fluoropropyl)piperazin-1-yl]sulfonyl-benzoyl]amino]-1,4-diethyl-pyrrole-2-carboxamide CAS Name: 3-[[[2-ethoxy-5-[[4-(3-fluoropropyl)-1-piperazinyl]sulfonyl]phenyl]-oxomethyl]amino]-1,4-diethyl-2-pyrrolecarboxamide IUPAC Name: 3-[[2-ethoxy-5-[4-(3-fluoropropyl)piperazin-1-yl]sulfonylbenzoyl]amino]-1,4-diethylpyrrole-2-carboxamide Traditional Name: 3-[[2-ethoxy-5-[4-(3-fluoropropyl)piperazino]sulfonyl-benzoyl]amino]-1,4-diethyl-pyrrole-2-carboxamide Formula: C25H36FN5O5S MolecularWeight: 537.647243

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN(C(=C1NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)CCCF)OCC)C(=O)N)CC

Isomeric SMILES

CCC1=CN(C(=C1NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)CCCF)OCC)C(=O)N)CC

InChI

InChI=1S/C25H36FN5O5S/c1-4-18-17-30(5-2)23(24(27)32)22(18)28-25(33)20-16-19(8-9-21(20)36-6-3)37(34,35)31-14-12-29(13-15-31)11-7-10-26/h8-9,16-17H,4-7,10-15H2,1-3H3,(H2,27,32)(H,28,33)