4-methyl-2-[3-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]phenyl]pentanoic acid

Systemtic Name: 4-methyl-2-[3-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]phenyl]pentanoic acid Openeye Name: 4-methyl-2-[3-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]phenyl]pentanoic acid CAS Name: 4-methyl-2-[3-[3-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]phenyl]pentanoic acid IUPAC Name: 4-methyl-2-[3-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]phenyl]pentanoic acid Traditional Name: 4-methyl-2-[3-[3-(4-methylpiperazino)sulfonylphenyl]phenyl]valeric acid Formula: C23H30N2O4S MolecularWeight: 430.5603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O4S/c1-17(2)14-22(23(26)27)20-8-4-6-18(15-20)19-7-5-9-21(16-19)30(28,29)25-12-10-24(3)11-13-25/h4-9,15-17,22H,10-14H2,1-3H3,(H,26,27)