4-[cyclopropyl-(3-ethoxy-3-oxidanylidene-propyl)amino]-4-oxidanylidene-3-(pyridin-3-ylsulfonylamino)butanoate

Systemtic Name: 4-[cyclopropyl-(3-ethoxy-3-oxidanylidene-propyl)amino]-4-oxidanylidene-3-(pyridin-3-ylsulfonylamino)butanoate Openeye Name: 4-[cyclopropyl-(3-ethoxy-3-oxo-propyl)amino]-4-oxo-3-(3-pyridylsulfonylamino)butanoate CAS Name: 4-[cyclopropyl-(3-ethoxy-3-oxopropyl)amino]-4-oxo-3-(3-pyridinylsulfonylamino)butanoate IUPAC Name: 4-[cyclopropyl-(3-ethoxy-3-oxopropyl)amino]-4-oxo-3-(pyridin-3-ylsulfonylamino)butanoate Traditional Name: 4-[cyclopropyl-(3-ethoxy-3-keto-propyl)amino]-4-keto-3-(3-pyridylsulfonylamino)butyrate Formula: C17H22N3O7S- MolecularWeight: 412.43748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(C1CC1)C(=O)C(CC(=O)[O-])NS(=O)(=O)C2=CN=CC=C2

Isomeric SMILES

CCOC(=O)CCN(C1CC1)C(=O)C(CC(=O)[O-])NS(=O)(=O)C2=CN=CC=C2

InChI

InChI=1S/C17H23N3O7S/c1-2-27-16(23)7-9-20(12-5-6-12)17(24)14(10-15(21)22)19-28(25,26)13-4-3-8-18-11-13/h3-4,8,11-12,14,19H,2,5-7,9-10H2,1H3,(H,21,22)/p-1