2-cyclohexyl-2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]ethanoic acid

Systemtic Name: 2-cyclohexyl-2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]ethanoic acid Openeye Name: 2-cyclohexyl-2-[(4-methoxyphenyl)sulfonyl-(4-pyridylmethyl)amino]acetic acid CAS Name: 2-cyclohexyl-2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]acetic acid IUPAC Name: 2-cyclohexyl-2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]acetic acid Traditional Name: 2-cyclohexyl-2-[(4-methoxyphenyl)sulfonyl-(4-pyridylmethyl)amino]acetic acid Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=NC=C2)C(C3CCCCC3)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=NC=C2)C(C3CCCCC3)C(=O)O

InChI

InChI=1S/C21H26N2O5S/c1-28-18-7-9-19(10-8-18)29(26,27)23(15-16-11-13-22-14-12-16)20(21(24)25)17-5-3-2-4-6-17/h7-14,17,20H,2-6,15H2,1H3,(H,24,25)