ethyl 2-[8-[(4-chlorophenyl)sulfonylamino]-1-pyridin-3-yl-octan-4-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[8-[(4-chlorophenyl)sulfonylamino]-1-pyridin-3-yl-octan-4-yl]sulfanylethanoate Openeye Name: ethyl 2-[5-[(4-chlorophenyl)sulfonylamino]-1-[3-(3-pyridyl)propyl]pentyl]sulfanylacetate CAS Name: 2-[[8-[(4-chlorophenyl)sulfonylamino]-1-(3-pyridinyl)octan-4-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[8-[(4-chlorophenyl)sulfonylamino]-1-pyridin-3-yloctan-4-yl]sulfanylacetate Traditional Name: 2-[[5-[(4-chlorophenyl)sulfonylamino]-1-[3-(3-pyridyl)propyl]pentyl]thio]acetic acid ethyl ester Formula: C23H31ClN2O4S2 MolecularWeight: 499.08624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31ClN2O4S2/c1-2-30-23(27)18-31-21(10-5-7-19-8-6-15-25-17-19)9-3-4-16-26-32(28,29)22-13-11-20(24)12-14-22/h6,8,11-15,17,21,26H,2-5,7,9-10,16,18H2,1H3