2-[3-[5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylthiophen-2-yl]phenyl]-4-methyl-pentanoic acid

Systemtic Name: 2-[3-[5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylthiophen-2-yl]phenyl]-4-methyl-pentanoic acid Openeye Name: 2-[3-[5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-2-thienyl]phenyl]-4-methyl-pentanoic acid CAS Name: 2-[3-[5-[[4-(2-hydroxyethyl)-1-piperazinyl]sulfonyl]-2-thiophenyl]phenyl]-4-methylpentanoic acid IUPAC Name: 2-[3-[5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylthiophen-2-yl]phenyl]-4-methylpentanoic acid Traditional Name: 2-[3-[5-[4-(2-hydroxyethyl)piperazino]sulfonyl-2-thienyl]phenyl]-4-methyl-valeric acid Formula: C22H30N2O5S2 MolecularWeight: 466.614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC(=C1)C2=CC=C(S2)S(=O)(=O)N3CCN(CC3)CCO)C(=O)O

Isomeric SMILES

CC(C)CC(C1=CC=CC(=C1)C2=CC=C(S2)S(=O)(=O)N3CCN(CC3)CCO)C(=O)O

InChI

InChI=1S/C22H30N2O5S2/c1-16(2)14-19(22(26)27)17-4-3-5-18(15-17)20-6-7-21(30-20)31(28,29)24-10-8-23(9-11-24)12-13-25/h3-7,15-16,19,25H,8-14H2,1-2H3,(H,26,27)