2-[4-[3-methyl-4-(3-methylphenyl)phenyl]piperidin-1-yl]sulfonylpropanoic acid

Systemtic Name: 2-[4-[3-methyl-4-(3-methylphenyl)phenyl]piperidin-1-yl]sulfonylpropanoic acid Openeye Name: 2-[[4-[3-methyl-4-(m-tolyl)phenyl]-1-piperidyl]sulfonyl]propanoic acid CAS Name: 2-[[4-[3-methyl-4-(3-methylphenyl)phenyl]-1-piperidinyl]sulfonyl]propanoic acid IUPAC Name: 2-[4-[3-methyl-4-(3-methylphenyl)phenyl]piperidin-1-yl]sulfonylpropanoic acid Traditional Name: 2-[4-[3-methyl-4-(m-tolyl)phenyl]piperidino]sulfonylpropionic acid Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=C(C=C(C=C2)C3CCN(CC3)S(=O)(=O)C(C)C(=O)O)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=C(C=C(C=C2)C3CCN(CC3)S(=O)(=O)C(C)C(=O)O)C

InChI

InChI=1S/C22H27NO4S/c1-15-5-4-6-20(13-15)21-8-7-19(14-16(21)2)18-9-11-23(12-10-18)28(26,27)17(3)22(24)25/h4-8,13-14,17-18H,9-12H2,1-3H3,(H,24,25)