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

Systemtic Name: 4-(cyclopropylmethyl)-3-[[2-ethoxy-5-[4-(3-fluoranylpropyl)piperazin-1-yl]sulfonyl-phenyl]carbonylamino]-1-methyl-pyrrole-2-carboxamide Openeye Name: 4-(cyclopropylmethyl)-3-[[2-ethoxy-5-[4-(3-fluoropropyl)piperazin-1-yl]sulfonyl-benzoyl]amino]-1-methyl-pyrrole-2-carboxamide CAS Name: 4-(cyclopropylmethyl)-3-[[[2-ethoxy-5-[[4-(3-fluoropropyl)-1-piperazinyl]sulfonyl]phenyl]-oxomethyl]amino]-1-methyl-2-pyrrolecarboxamide IUPAC Name: 4-(cyclopropylmethyl)-3-[[2-ethoxy-5-[4-(3-fluoropropyl)piperazin-1-yl]sulfonylbenzoyl]amino]-1-methylpyrrole-2-carboxamide Traditional Name: 4-(cyclopropylmethyl)-3-[[2-ethoxy-5-[4-(3-fluoropropyl)piperazino]sulfonyl-benzoyl]amino]-1-methyl-pyrrole-2-carboxamide Formula: C26H36FN5O5S MolecularWeight: 549.657943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CCCF)C(=O)NC3=C(N(C=C3CC4CC4)C)C(=O)N

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CCCF)C(=O)NC3=C(N(C=C3CC4CC4)C)C(=O)N

InChI

InChI=1S/C26H36FN5O5S/c1-3-37-22-8-7-20(38(35,36)32-13-11-31(12-14-32)10-4-9-27)16-21(22)26(34)29-23-19(15-18-5-6-18)17-30(2)24(23)25(28)33/h7-8,16-18H,3-6,9-15H2,1-2H3,(H2,28,33)(H,29,34)