methyl 2-[8-[(4-chlorophenyl)sulfonylamino]-1-pyridin-3-yl-octan-4-yl]oxyethanoate

Systemtic Name: methyl 2-[8-[(4-chlorophenyl)sulfonylamino]-1-pyridin-3-yl-octan-4-yl]oxyethanoate Openeye Name: methyl 2-[5-[(4-chlorophenyl)sulfonylamino]-1-[3-(3-pyridyl)propyl]pentoxy]acetate CAS Name: 2-[8-[(4-chlorophenyl)sulfonylamino]-1-(3-pyridinyl)octan-4-yl]oxyacetic acid methyl ester IUPAC Name: methyl 2-[8-[(4-chlorophenyl)sulfonylamino]-1-pyridin-3-yloctan-4-yl]oxyacetate Traditional Name: 2-[5-[(4-chlorophenyl)sulfonylamino]-1-[3-(3-pyridyl)propyl]pentoxy]acetic acid methyl ester Formula: C22H29ClN2O5S MolecularWeight: 468.99406

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COC(CCCCNS(=O)(=O)C1=CC=C(C=C1)Cl)CCCC2=CN=CC=C2

Isomeric SMILES

COC(=O)COC(CCCCNS(=O)(=O)C1=CC=C(C=C1)Cl)CCCC2=CN=CC=C2

InChI

InChI=1S/C22H29ClN2O5S/c1-29-22(26)17-30-20(9-4-6-18-7-5-14-24-16-18)8-2-3-15-25-31(27,28)21-12-10-19(23)11-13-21/h5,7,10-14,16,20,25H,2-4,6,8-9,15,17H2,1H3