3-[[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-phenyl]carbonylamino]-1-ethyl-4-(3-fluoranylpropyl)pyrrole-2-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OCC)C(=O)NC3=C(N(C=C3CCCF)CC)C(=O)N

Isomeric SMILES

CCN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OCC)C(=O)NC3=C(N(C=C3CCCF)CC)C(=O)N

InChI

InChI=1S/C25H36FN5O5S/c1-4-29-12-14-31(15-13-29)37(34,35)19-9-10-21(36-6-3)20(16-19)25(33)28-22-18(8-7-11-26)17-30(5-2)23(22)24(27)32/h9-10,16-17H,4-8,11-15H2,1-3H3,(H2,27,32)(H,28,33)