2-methyl-3-[3-[[phenylsulfonyl-[(4-pyrazol-1-ylphenyl)methyl]amino]methyl]phenyl]propanoic acid

Systemtic Name: 2-methyl-3-[3-[[phenylsulfonyl-[(4-pyrazol-1-ylphenyl)methyl]amino]methyl]phenyl]propanoic acid Openeye Name: 3-[3-[[benzenesulfonyl-[(4-pyrazol-1-ylphenyl)methyl]amino]methyl]phenyl]-2-methyl-propanoic acid CAS Name: 3-[3-[[benzenesulfonyl-[[4-(1-pyrazolyl)phenyl]methyl]amino]methyl]phenyl]-2-methylpropanoic acid IUPAC Name: 3-[3-[[benzenesulfonyl-[(4-pyrazol-1-ylphenyl)methyl]amino]methyl]phenyl]-2-methylpropanoic acid Traditional Name: 3-[3-[[besyl-(4-pyrazol-1-ylbenzyl)amino]methyl]phenyl]-2-methyl-propionic acid Formula: C27H27N3O4S MolecularWeight: 489.58598

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=CC=C1)CN(CC2=CC=C(C=C2)N3C=CC=N3)S(=O)(=O)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC(CC1=CC(=CC=C1)CN(CC2=CC=C(C=C2)N3C=CC=N3)S(=O)(=O)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C27H27N3O4S/c1-21(27(31)32)17-23-7-5-8-24(18-23)20-29(35(33,34)26-9-3-2-4-10-26)19-22-11-13-25(14-12-22)30-16-6-15-28-30/h2-16,18,21H,17,19-20H2,1H3,(H,31,32)