7-[methylsulfonyl-[(4-pyridin-2-ylphenyl)methyl]amino]heptanoic acid

Systemtic Name: 7-[methylsulfonyl-[(4-pyridin-2-ylphenyl)methyl]amino]heptanoic acid Openeye Name: 7-[methylsulfonyl-[[4-(2-pyridyl)phenyl]methyl]amino]heptanoic acid CAS Name: 7-[methylsulfonyl-[[4-(2-pyridinyl)phenyl]methyl]amino]heptanoic acid IUPAC Name: 7-[methylsulfonyl-[(4-pyridin-2-ylphenyl)methyl]amino]heptanoic acid Traditional Name: 7-[mesyl-[4-(2-pyridyl)benzyl]amino]enanthic acid Formula: C20H26N2O4S MolecularWeight: 390.49644

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CCCCCCC(=O)O)CC1=CC=C(C=C1)C2=CC=CC=N2

Isomeric SMILES

CS(=O)(=O)N(CCCCCCC(=O)O)CC1=CC=C(C=C1)C2=CC=CC=N2

InChI

InChI=1S/C20H26N2O4S/c1-27(25,26)22(15-7-3-2-4-9-20(23)24)16-17-10-12-18(13-11-17)19-8-5-6-14-21-19/h5-6,8,10-14H,2-4,7,9,15-16H2,1H3,(H,23,24)