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

Systemtic Name: 2-[3-[4-(4-methanoylpiperazin-1-yl)sulfonylphenyl]phenyl]-4-methyl-pentanoic acid Openeye Name: 2-[3-[4-(4-formylpiperazin-1-yl)sulfonylphenyl]phenyl]-4-methyl-pentanoic acid CAS Name: 2-[3-[4-[(4-formyl-1-piperazinyl)sulfonyl]phenyl]phenyl]-4-methylpentanoic acid IUPAC Name: 2-[3-[4-(4-formylpiperazin-1-yl)sulfonylphenyl]phenyl]-4-methylpentanoic acid Traditional Name: 2-[3-[4-(4-formylpiperazino)sulfonylphenyl]phenyl]-4-methyl-valeric acid Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O5S/c1-17(2)14-22(23(27)28)20-5-3-4-19(15-20)18-6-8-21(9-7-18)31(29,30)25-12-10-24(16-26)11-13-25/h3-9,15-17,22H,10-14H2,1-2H3,(H,27,28)