ethyl (2S)-2-(phenylsulfonylamino)-3-[[4-(3-pyridin-4-ylpropoxy)phenyl]carbonylamino]propanoate

Systemtic Name: ethyl (2S)-2-(phenylsulfonylamino)-3-[[4-(3-pyridin-4-ylpropoxy)phenyl]carbonylamino]propanoate Openeye Name: ethyl (2S)-2-(benzenesulfonamido)-3-[[4-[3-(4-pyridyl)propoxy]benzoyl]amino]propanoate CAS Name: (2S)-2-(benzenesulfonamido)-3-[[oxo-[4-(3-pyridin-4-ylpropoxy)phenyl]methyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-(benzenesulfonamido)-3-[[4-(3-pyridin-4-ylpropoxy)benzoyl]amino]propanoate Traditional Name: (2S)-2-(benzenesulfonamido)-3-[[4-[3-(4-pyridyl)propoxy]benzoyl]amino]propionic acid ethyl ester Formula: C26H29N3O6S MolecularWeight: 511.58996

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CNC(=O)C1=CC=C(C=C1)OCCCC2=CC=NC=C2)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@H](CNC(=O)C1=CC=C(C=C1)OCCCC2=CC=NC=C2)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H29N3O6S/c1-2-34-26(31)24(29-36(32,33)23-8-4-3-5-9-23)19-28-25(30)21-10-12-22(13-11-21)35-18-6-7-20-14-16-27-17-15-20/h3-5,8-17,24,29H,2,6-7,18-19H2,1H3,(H,28,30)/t24-/m0/s1