2-[3-[3-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-4-methoxy-phenyl]phenyl]-4-methyl-pentanoic acid

Systemtic Name: 2-[3-[3-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-4-methoxy-phenyl]phenyl]-4-methyl-pentanoic acid Openeye Name: 2-[3-[3-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-4-methoxy-phenyl]phenyl]-4-methyl-pentanoic acid CAS Name: 2-[3-[3-[[4-(2-hydroxyethyl)-1-piperazinyl]sulfonyl]-4-methoxyphenyl]phenyl]-4-methylpentanoic acid IUPAC Name: 2-[3-[3-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-4-methoxyphenyl]phenyl]-4-methylpentanoic acid Traditional Name: 2-[3-[3-[4-(2-hydroxyethyl)piperazino]sulfonyl-4-methoxy-phenyl]phenyl]-4-methyl-valeric acid Formula: C25H34N2O6S MolecularWeight: 490.61226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC(=C1)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCN(CC3)CCO)C(=O)O

Isomeric SMILES

CC(C)CC(C1=CC=CC(=C1)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCN(CC3)CCO)C(=O)O

InChI

InChI=1S/C25H34N2O6S/c1-18(2)15-22(25(29)30)21-6-4-5-19(16-21)20-7-8-23(33-3)24(17-20)34(31,32)27-11-9-26(10-12-27)13-14-28/h4-8,16-18,22,28H,9-15H2,1-3H3,(H,29,30)