2-[[3-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanoyl]amino]-1,3-thiazole-4-carboxylic acid

Systemtic Name: 2-[[3-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanoyl]amino]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[[3-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanoyl]amino]thiazole-4-carboxylic acid CAS Name: 2-[[3-cyclopentyl-2-[4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-1-oxopropyl]amino]-4-thiazolecarboxylic acid IUPAC Name: 2-[[3-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanoyl]amino]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[[3-cyclopentyl-2-[4-(4-methylpiperazino)sulfonylphenyl]propanoyl]amino]thiazole-4-carboxylic acid Formula: C23H30N4O5S2 MolecularWeight: 506.6381

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(CC3CCCC3)C(=O)NC4=NC(=CS4)C(=O)O

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(CC3CCCC3)C(=O)NC4=NC(=CS4)C(=O)O

InChI

InChI=1S/C23H30N4O5S2/c1-26-10-12-27(13-11-26)34(31,32)18-8-6-17(7-9-18)19(14-16-4-2-3-5-16)21(28)25-23-24-20(15-33-23)22(29)30/h6-9,15-16,19H,2-5,10-14H2,1H3,(H,29,30)(H,24,25,28)