3-[(7-butoxy-4-oxidanylidene-quinolizin-3-yl)carbamoylamino]-2-(phenylsulfonylamino)propanoic acid

Systemtic Name: 3-[(7-butoxy-4-oxidanylidene-quinolizin-3-yl)carbamoylamino]-2-(phenylsulfonylamino)propanoic acid Openeye Name: 2-(benzenesulfonamido)-3-[(7-butoxy-4-oxo-quinolizin-3-yl)carbamoylamino]propanoic acid CAS Name: 2-(benzenesulfonamido)-3-[[[(7-butoxy-4-oxo-3-quinolizinyl)amino]-oxomethyl]amino]propanoic acid IUPAC Name: 2-(benzenesulfonamido)-3-[(7-butoxy-4-oxoquinolizin-3-yl)carbamoylamino]propanoic acid Traditional Name: 2-(benzenesulfonamido)-3-[(7-butoxy-4-keto-quinolizin-3-yl)carbamoylamino]propionic acid Formula: C23H26N4O7S MolecularWeight: 502.54014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CN2C(=CC=C(C2=O)NC(=O)NCC(C(=O)O)NS(=O)(=O)C3=CC=CC=C3)C=C1

Isomeric SMILES

CCCCOC1=CN2C(=CC=C(C2=O)NC(=O)NCC(C(=O)O)NS(=O)(=O)C3=CC=CC=C3)C=C1

InChI

InChI=1S/C23H26N4O7S/c1-2-3-13-34-17-11-9-16-10-12-19(21(28)27(16)15-17)25-23(31)24-14-20(22(29)30)26-35(32,33)18-7-5-4-6-8-18/h4-12,15,20,26H,2-3,13-14H2,1H3,(H,29,30)(H2,24,25,31)