tert-butyl 3-[(7-butoxy-4-oxidanylidene-quinolizin-3-yl)carbamoylamino]-2-(phenylsulfonylamino)propanoate

Systemtic Name: tert-butyl 3-[(7-butoxy-4-oxidanylidene-quinolizin-3-yl)carbamoylamino]-2-(phenylsulfonylamino)propanoate Openeye Name: tert-butyl 2-(benzenesulfonamido)-3-[(7-butoxy-4-oxo-quinolizin-3-yl)carbamoylamino]propanoate CAS Name: 2-(benzenesulfonamido)-3-[[[(7-butoxy-4-oxo-3-quinolizinyl)amino]-oxomethyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-(benzenesulfonamido)-3-[(7-butoxy-4-oxoquinolizin-3-yl)carbamoylamino]propanoate Traditional Name: 2-(benzenesulfonamido)-3-[(7-butoxy-4-keto-quinolizin-3-yl)carbamoylamino]propionic acid tert-butyl ester Formula: C27H34N4O7S MolecularWeight: 558.64646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34N4O7S/c1-5-6-16-37-20-14-12-19-13-15-22(24(32)31(19)18-20)29-26(34)28-17-23(25(33)38-27(2,3)4)30-39(35,36)21-10-8-7-9-11-21/h7-15,18,23,30H,5-6,16-17H2,1-4H3,(H2,28,29,34)