6-[[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]carbonylamino]-3-[(3-fluorophenyl)methyl]benzimidazole-5-carboxamide

Systemtic Name: 6-[[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]carbonylamino]-3-[(3-fluorophenyl)methyl]benzimidazole-5-carboxamide Openeye Name: 6-[[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-benzoyl]amino]-3-[(3-fluorophenyl)methyl]benzimidazole-5-carboxamide CAS Name: 6-[[[5-[(4-ethyl-1-piperazinyl)sulfonyl]-2-propoxyphenyl]-oxomethyl]amino]-3-[(3-fluorophenyl)methyl]-5-benzimidazolecarboxamide IUPAC Name: 6-[[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxybenzoyl]amino]-3-[(3-fluorophenyl)methyl]benzimidazole-5-carboxamide Traditional Name: 6-[[5-(4-ethylpiperazino)sulfonyl-2-propoxy-benzoyl]amino]-3-(3-fluorobenzyl)benzimidazole-5-carboxamide Formula: C31H35FN6O5S MolecularWeight: 622.710203

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC)C(=O)NC3=CC4=C(C=C3C(=O)N)N(C=N4)CC5=CC(=CC=C5)F

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC)C(=O)NC3=CC4=C(C=C3C(=O)N)N(C=N4)CC5=CC(=CC=C5)F

InChI

InChI=1S/C31H35FN6O5S/c1-3-14-43-29-9-8-23(44(41,42)38-12-10-36(4-2)11-13-38)16-25(29)31(40)35-26-18-27-28(17-24(26)30(33)39)37(20-34-27)19-21-6-5-7-22(32)15-21/h5-9,15-18,20H,3-4,10-14,19H2,1-2H3,(H2,33,39)(H,35,40)