2-[4-[(4-chlorophenyl)sulfonylamino]butyl]-2-(3-pyridin-3-ylpropyl)propanedioate

Systemtic Name: 2-[4-[(4-chlorophenyl)sulfonylamino]butyl]-2-(3-pyridin-3-ylpropyl)propanedioate Openeye Name: 2-[4-[(4-chlorophenyl)sulfonylamino]butyl]-2-[3-(3-pyridyl)propyl]propanedioate CAS Name: 2-[4-[(4-chlorophenyl)sulfonylamino]butyl]-2-[3-(3-pyridinyl)propyl]propanedioate IUPAC Name: 2-[4-[(4-chlorophenyl)sulfonylamino]butyl]-2-(3-pyridin-3-ylpropyl)propanedioate Traditional Name: 2-[4-[(4-chlorophenyl)sulfonylamino]butyl]-2-[3-(3-pyridyl)propyl]malonate Formula: C21H23ClN2O6S-2 MolecularWeight: 466.93512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CCCC(CCCCNS(=O)(=O)C2=CC=C(C=C2)Cl)(C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC(=CN=C1)CCCC(CCCCNS(=O)(=O)C2=CC=C(C=C2)Cl)(C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C21H25ClN2O6S/c22-17-7-9-18(10-8-17)31(29,30)24-14-2-1-11-21(19(25)26,20(27)28)12-3-5-16-6-4-13-23-15-16/h4,6-10,13,15,24H,1-3,5,11-12,14H2,(H,25,26)(H,27,28)/p-2