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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(CC2=CC=C(C=C2)CCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC(=CN=C1)C(CC2=CC=C(C=C2)CCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H21ClN2O4S/c23-19-8-10-20(11-9-19)30(28,29)25-21(18-2-1-13-24-15-18)14-17-5-3-16(4-6-17)7-12-22(26)27/h1-6,8-11,13,15,21,25H,7,12,14H2,(H,26,27)