methyl 3-[4-[[(4-chlorophenyl)sulfonylamino]-pyridin-3-yl-methyl]phenyl]propanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN2O4S/c1-29-21(26)13-6-16-4-7-17(8-5-16)22(18-3-2-14-24-15-18)25-30(27,28)20-11-9-19(23)10-12-20/h2-5,7-12,14-15,22,25H,6,13H2,1H3