2-[[3-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)sulfonyl-3-(trifluoromethyl)phenyl]propanoyl]amino]-1,3-benzothiazole-6-carboxylic acid

Systemtic Name: 2-[[3-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)sulfonyl-3-(trifluoromethyl)phenyl]propanoyl]amino]-1,3-benzothiazole-6-carboxylic acid Openeye Name: 2-[[3-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)sulfonyl-3-(trifluoromethyl)phenyl]propanoyl]amino]-1,3-benzothiazole-6-carboxylic acid CAS Name: 2-[[3-cyclopentyl-2-[4-[(4-methyl-1-piperazinyl)sulfonyl]-3-(trifluoromethyl)phenyl]-1-oxopropyl]amino]-1,3-benzothiazole-6-carboxylic acid IUPAC Name: 2-[[3-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)sulfonyl-3-(trifluoromethyl)phenyl]propanoyl]amino]-1,3-benzothiazole-6-carboxylic acid Traditional Name: 2-[[3-cyclopentyl-2-[4-(4-methylpiperazino)sulfonyl-3-(trifluoromethyl)phenyl]propanoyl]amino]-1,3-benzothiazole-6-carboxylic acid Formula: C28H31F3N4O5S2 MolecularWeight: 624.69475

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=C(C=C(C=C2)C(CC3CCCC3)C(=O)NC4=NC5=C(S4)C=C(C=C5)C(=O)O)C(F)(F)F

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=C(C=C(C=C2)C(CC3CCCC3)C(=O)NC4=NC5=C(S4)C=C(C=C5)C(=O)O)C(F)(F)F

InChI

InChI=1S/C28H31F3N4O5S2/c1-34-10-12-35(13-11-34)42(39,40)24-9-7-18(15-21(24)28(29,30)31)20(14-17-4-2-3-5-17)25(36)33-27-32-22-8-6-19(26(37)38)16-23(22)41-27/h6-9,15-17,20H,2-5,10-14H2,1H3,(H,37,38)(H,32,33,36)