ethyl 3-[[3-(4-azanylbutoxy)phenyl]sulfonylamino]-3-pyridin-3-yl-propanoate

Systemtic Name: ethyl 3-[[3-(4-azanylbutoxy)phenyl]sulfonylamino]-3-pyridin-3-yl-propanoate Openeye Name: ethyl 3-[[3-(4-aminobutoxy)phenyl]sulfonylamino]-3-(3-pyridyl)propanoate CAS Name: 3-[[3-(4-aminobutoxy)phenyl]sulfonylamino]-3-(3-pyridinyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-[[3-(4-aminobutoxy)phenyl]sulfonylamino]-3-pyridin-3-ylpropanoate Traditional Name: 3-[[3-(4-aminobutoxy)phenyl]sulfonylamino]-3-(3-pyridyl)propionic acid ethyl ester Formula: C20H27N3O5S MolecularWeight: 421.51048

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CN=CC=C1)NS(=O)(=O)C2=CC=CC(=C2)OCCCCN

Isomeric SMILES

CCOC(=O)CC(C1=CN=CC=C1)NS(=O)(=O)C2=CC=CC(=C2)OCCCCN

InChI

InChI=1S/C20H27N3O5S/c1-2-27-20(24)14-19(16-7-6-11-22-15-16)23-29(25,26)18-9-5-8-17(13-18)28-12-4-3-10-21/h5-9,11,13,15,19,23H,2-4,10,12,14,21H2,1H3