3-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanoic acid

Systemtic Name: 3-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanoic acid Openeye Name: 3-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanoic acid CAS Name: 3-cyclopentyl-2-[4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]propanoic acid IUPAC Name: 3-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanoic acid Traditional Name: 3-cyclopentyl-2-[4-(4-methylpiperazino)sulfonylphenyl]propionic acid Formula: C19H28N2O4S MolecularWeight: 380.50162

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(CC3CCCC3)C(=O)O

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(CC3CCCC3)C(=O)O

InChI

InChI=1S/C19H28N2O4S/c1-20-10-12-21(13-11-20)26(24,25)17-8-6-16(7-9-17)18(19(22)23)14-15-4-2-3-5-15/h6-9,15,18H,2-5,10-14H2,1H3,(H,22,23)