4-[2-[(4-chlorophenyl)sulfonylamino]-2-pyridin-3-yl-ethyl]-2-ethyl-benzoic acid

Systemtic Name: 4-[2-[(4-chlorophenyl)sulfonylamino]-2-pyridin-3-yl-ethyl]-2-ethyl-benzoic acid Openeye Name: 4-[2-[(4-chlorophenyl)sulfonylamino]-2-(3-pyridyl)ethyl]-2-ethyl-benzoic acid CAS Name: 4-[2-[(4-chlorophenyl)sulfonylamino]-2-(3-pyridinyl)ethyl]-2-ethylbenzoic acid IUPAC Name: 4-[2-[(4-chlorophenyl)sulfonylamino]-2-pyridin-3-ylethyl]-2-ethylbenzoic acid Traditional Name: 4-[2-[(4-chlorophenyl)sulfonylamino]-2-(3-pyridyl)ethyl]-2-ethyl-benzoic acid Formula: C22H21ClN2O4S MolecularWeight: 444.93114

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)CC(C2=CN=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CCC1=C(C=CC(=C1)CC(C2=CN=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C22H21ClN2O4S/c1-2-16-12-15(5-10-20(16)22(26)27)13-21(17-4-3-11-24-14-17)25-30(28,29)19-8-6-18(23)7-9-19/h3-12,14,21,25H,2,13H2,1H3,(H,26,27)