2-[3-[[methylsulfonyl-[(4-propylphenyl)methyl]amino]methyl]phenyl]ethanoic acid

Systemtic Name: 2-[3-[[methylsulfonyl-[(4-propylphenyl)methyl]amino]methyl]phenyl]ethanoic acid Openeye Name: 2-[3-[[methylsulfonyl-[(4-propylphenyl)methyl]amino]methyl]phenyl]acetic acid CAS Name: 2-[3-[[methylsulfonyl-[(4-propylphenyl)methyl]amino]methyl]phenyl]acetic acid IUPAC Name: 2-[3-[[methylsulfonyl-[(4-propylphenyl)methyl]amino]methyl]phenyl]acetic acid Traditional Name: 2-[3-[[mesyl-(4-propylbenzyl)amino]methyl]phenyl]acetic acid Formula: C20H25NO4S MolecularWeight: 375.4818

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)CN(CC2=CC=CC(=C2)CC(=O)O)S(=O)(=O)C

Isomeric SMILES

CCCC1=CC=C(C=C1)CN(CC2=CC=CC(=C2)CC(=O)O)S(=O)(=O)C

InChI

InChI=1S/C20H25NO4S/c1-3-5-16-8-10-17(11-9-16)14-21(26(2,24)25)15-19-7-4-6-18(12-19)13-20(22)23/h4,6-12H,3,5,13-15H2,1-2H3,(H,22,23)