2-[3-[[(4-cyclohexylphenyl)methyl-pyridin-3-ylsulfonyl-amino]methyl]phenyl]ethanoic acid

Systemtic Name: 2-[3-[[(4-cyclohexylphenyl)methyl-pyridin-3-ylsulfonyl-amino]methyl]phenyl]ethanoic acid Openeye Name: 2-[3-[[(4-cyclohexylphenyl)methyl-(3-pyridylsulfonyl)amino]methyl]phenyl]acetic acid CAS Name: 2-[3-[[(4-cyclohexylphenyl)methyl-(3-pyridinylsulfonyl)amino]methyl]phenyl]acetic acid IUPAC Name: 2-[3-[[(4-cyclohexylphenyl)methyl-pyridin-3-ylsulfonylamino]methyl]phenyl]acetic acid Traditional Name: 2-[3-[[(4-cyclohexylbenzyl)-(3-pyridylsulfonyl)amino]methyl]phenyl]acetic acid Formula: C27H30N2O4S MolecularWeight: 478.6031

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)CN(CC3=CC=CC(=C3)CC(=O)O)S(=O)(=O)C4=CN=CC=C4

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)CN(CC3=CC=CC(=C3)CC(=O)O)S(=O)(=O)C4=CN=CC=C4

InChI

InChI=1S/C27H30N2O4S/c30-27(31)17-22-6-4-7-23(16-22)20-29(34(32,33)26-10-5-15-28-18-26)19-21-11-13-25(14-12-21)24-8-2-1-3-9-24/h4-7,10-16,18,24H,1-3,8-9,17,19-20H2,(H,30,31)